| .. |
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regtest-acc-1
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Gauxc object caching (#5340)
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2026-07-15 13:48:13 +02:00 |
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regtest-acc-1-libxc
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Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144)
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2026-05-07 23:01:43 +02:00 |
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regtest-acc-2
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CMake: Fix libint2 Fortran module finding (#5317)
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2026-05-31 12:05:28 +02:00 |
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regtest-acc-3
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Refactoring of TDDFT oscillator strength calculation (#5205)
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2026-05-15 19:43:05 +02:00 |
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regtest-acc-4
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GAPW increase accuracy for XC integration (#4779)
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2026-02-04 17:51:19 +01:00 |
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regtest-acc-5
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Refactoring of TDDFT oscillator strength calculation (#5205)
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2026-05-15 19:43:05 +02:00 |
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regtest-admm-1
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missing term (#4823)
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2026-02-12 12:07:17 +01:00 |
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regtest-admm-2
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CG/Linesearch (#4141)
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2025-04-15 20:13:30 +02:00 |
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regtest-admm-3
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Refactor DOS and PDOS input sections and output options (#5326)
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2026-06-01 17:34:34 +02:00 |
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regtest-admm-4
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CG/Linesearch (#4141)
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2025-04-15 20:13:30 +02:00 |
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regtest-admm-dm
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CG/Linesearch (#4141)
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2025-04-15 20:13:30 +02:00 |
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regtest-admm-gapw
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CG/Linesearch (#4141)
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2025-04-15 20:13:30 +02:00 |
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regtest-admm-libxc
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Libxc 7.0.0 -> 7.1.1 (#5607)
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2026-07-20 17:55:05 +02:00 |
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regtest-admm-qps
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-admm-qps-2
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-admm-type
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-all-electron
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-almo-1
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Open-Shell implementation of ALMO (#5345)
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2026-06-05 17:01:19 +02:00 |
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regtest-almo-2
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CG/Linesearch (#4141)
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2025-04-15 20:13:30 +02:00 |
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regtest-almo-eda
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-almo-md
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-almo-strong
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-almo-trustr
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-as
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Update of active space module (#4357)
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2025-08-12 12:08:25 +02:00 |
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regtest-as-1
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Add k-point symmetry backends and guards (#5124)
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2026-05-04 11:09:36 +02:00 |
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regtest-as-2
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Support ROKS active-space FCI solver (#5203)
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2026-05-15 14:15:44 +02:00 |
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regtest-as-3
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Update of active space module (#4357)
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2025-08-12 12:08:25 +02:00 |
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regtest-as-dft
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Test explicit active-space NONE solver (#5194)
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2026-05-14 20:37:58 +02:00 |
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regtest-as-fci
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Support ROKS active-space FCI solver (#5203)
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2026-05-15 14:15:44 +02:00 |
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regtest-as-qcschema
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Toolchain: Updates of COSMA and HDF5 (#4910)
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2026-03-05 14:52:31 +01:00 |
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regtest-bs
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Relax tolerance
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2026-02-04 17:47:21 +01:00 |
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regtest-bse
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Adjust tolerance of BSE_H2O_PBE_evGW0_TDHF_screening.inp
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2025-03-09 23:21:51 +01:00 |
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regtest-casino
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Add CASINO gwfn.data export for Quickstep orbitals (S. Azadi) (#5288)
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2026-05-26 18:20:36 +02:00 |
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regtest-cdft-1
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-2
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-3
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-3-1
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-4-1
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-4-2
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-4-3
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-5
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-diag
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-cdft-hirshfeld
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-hirshfeld-2
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-cdft-hirshfeld-3
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-chi-1
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-cneo
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CNEO: CNEO-DFT energy and force
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2025-09-01 12:36:37 +02:00 |
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regtest-corr_dipm
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-cusolver
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Diagonalization: add opt-in direct generalized eigensolvers (#5108)
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2026-05-05 16:26:45 +02:00 |
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regtest-dcdft-force
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-dcdft-gapw
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GAPW DC-DFT + EC EXTERNAL (#4502)
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2025-10-21 16:14:06 +02:00 |
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regtest-dcdft-hfx
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Relax tolerance (#5232)
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2026-05-18 14:13:08 +02:00 |
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regtest-dcdft-stress
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-dcdr
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Fix periodic e-field force prefactors (#5308)
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2026-05-29 00:40:54 +02:00 |
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regtest-debug-1
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-debug-2
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-debug-3
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Libxc 7.0.0 -> 7.1.1 (#5607)
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2026-07-20 17:55:05 +02:00 |
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regtest-debug-4
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-debug-5
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-debug-6
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-debug-7
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-dft-d2-auto-ref
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autodetection reference functional (#5296)
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2026-05-29 15:56:36 +02:00 |
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regtest-dft-d3-auto-ref
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Jvp d3 library (#5346)
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2026-06-11 16:29:35 +02:00 |
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regtest-dft-d3-bj-auto-ref
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autodetection reference functional (#5296)
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2026-05-29 15:56:36 +02:00 |
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regtest-dft-d3-lib-ref
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Jvp d3 library (#5346)
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2026-06-11 16:29:35 +02:00 |
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regtest-dft-d3-s-ref
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Jvp d3 library (#5346)
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2026-06-11 16:29:35 +02:00 |
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regtest-dft-d3bj-lib-ref
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Jvp d3 library (#5346)
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2026-06-11 16:29:35 +02:00 |
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regtest-dft-d3bj-s-ref
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Jvp d3 library (#5346)
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2026-06-11 16:29:35 +02:00 |
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regtest-dft-d4-auto-ref
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autodetection reference functional (#5296)
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2026-05-29 15:56:36 +02:00 |
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regtest-dft-filtermat
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Implementation of alternative smearing methods (#4958)
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2026-03-16 15:09:56 +01:00 |
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regtest-dft-vdw-corr-1
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Fix TB gradients, virials, and k-point symmetry
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2026-05-06 00:47:46 +02:00 |
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regtest-dft-vdw-corr-2
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Motion: Remove &CELL_OPT/TYPE keyword (#5257)
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2026-05-21 17:31:40 +02:00 |
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regtest-dft-vdw-corr-3
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GauXC: use finite-difference GAPW XC gradients for SKALA and high-l bases (#5263)
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2026-05-22 09:41:49 +02:00 |
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regtest-dft-vdw-corr-4
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autodetection reference functional (#5296)
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2026-05-29 15:56:36 +02:00 |
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regtest-dlaf
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Diagonalization: add opt-in direct generalized eigensolvers (#5108)
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2026-05-05 16:26:45 +02:00 |
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regtest-dlaf-2
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RIXS| Open-Shell (#4533)
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2025-11-14 13:20:10 +01:00 |
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regtest-dm-ls-scf-1
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Relax tolerance (#5232)
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2026-05-18 14:13:08 +02:00 |
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regtest-dm-ls-scf-2
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Fix TB gradients, virials, and k-point symmetry
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2026-05-06 00:47:46 +02:00 |
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regtest-dm-ls-scf-3
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Fix TB gradients, virials, and k-point symmetry
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2026-05-06 00:47:46 +02:00 |
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regtest-dm-ls-scf-4
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LS-SCF: Add tests for forces and stress tensor (#4997)
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2026-03-24 22:58:09 +01:00 |
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regtest-double-hybrid-1
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-2
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-3
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-grad
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-grad-laplace
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-grad-meta
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-grad-numer
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-grad-numer-meta
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-stress
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-stress-laplace
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-stress-meta
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-stress-numer
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-stress-numer-laplace
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-double-hybrid-stress-numer-meta
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-ec
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Docker: Fix Intel testers (#5517)
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2026-07-04 20:42:51 +02:00 |
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regtest-ec-force
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-ec-meta
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-ec-stress
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-ecp
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Gauxc object caching (#5340)
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2026-07-15 13:48:13 +02:00 |
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regtest-ecp-2
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Bug fix for initial guess with ECP potentials (#4343)
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2025-07-24 18:09:30 +02:00 |
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regtest-ed
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Implementation of alternative smearing methods (#4958)
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2026-03-16 15:09:56 +01:00 |
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regtest-eht-guess
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-elpa
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ELPA: introduced ELPA_ONE_STAGE and revised ELPA_QR/UNSAFE
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2026-01-21 13:33:40 +01:00 |
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regtest-elpa-2
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ELPA: turn section PRINT_ELPA into a lone keyword ELPA_PRINT
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2026-01-23 17:51:56 +01:00 |
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regtest-elpa-qr
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Implementation of alternative smearing methods (#4958)
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2026-03-16 15:09:56 +01:00 |
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regtest-embed
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-epr-1
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-epr-2
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-fftw
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-fftw-wisdom
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-floquet
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Floquet physics (#5380)
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2026-06-14 12:46:35 +02:00 |
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regtest-gapw
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Add conservative AUTO default for cell canonicalization (#5318)
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2026-05-30 20:11:58 +02:00 |
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regtest-gapw-1
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Smearing: various fixes (#5354)
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2026-06-05 13:24:39 +02:00 |
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regtest-gapw-2
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Fix C-levelshift.inp with 4 ranks
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2026-01-02 23:39:35 +01:00 |
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regtest-gapw-3
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-gapw-4
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Add broadened DOS/PDOS output with shared OT LUMO generation (#5287)
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2026-05-26 08:35:40 +02:00 |
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regtest-gapw-ext
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-gapw_xc
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GAPW: take first steps toward accurate XC integration by default (#5125)
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2026-05-04 11:45:19 +02:00 |
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regtest-gauxc-api
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Gauxc object caching (#5340)
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2026-07-15 13:48:13 +02:00 |
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regtest-gauxc-api-debug
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refactor: Remove OneDFT branding from GauXC interface (#5563)
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2026-07-10 09:05:04 +02:00 |
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regtest-gauxc-cdft
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Gauxc object caching (#5340)
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2026-07-15 13:48:13 +02:00 |
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regtest-gauxc-cuda
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Support periodic native SKALA stress, k-points, and NLCC (#5394)
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2026-06-15 05:44:06 +02:00 |
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regtest-gauxc-gapw-ae-kp
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GauXC: Split regtests and add slow tests suppression (#5465)
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2026-06-26 12:15:14 +02:00 |
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regtest-gauxc-gapw-base
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GauXC: Split regtests and add slow tests suppression (#5465)
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2026-06-26 12:15:14 +02:00 |
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regtest-gauxc-gapw-ecp
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Gauxc object caching (#5340)
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2026-07-15 13:48:13 +02:00 |
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regtest-gauxc-gapw-gth
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Gauxc object caching (#5340)
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2026-07-15 13:48:13 +02:00 |
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regtest-gauxc-gapw-gth-kp
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Gauxc object caching (#5340)
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2026-07-15 13:48:13 +02:00 |
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regtest-gauxc-gpw-coords
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GauXC: Split regtests and add slow tests suppression (#5465)
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2026-06-26 12:15:14 +02:00 |
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regtest-gauxc-gpw-kp
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GauXC: Split regtests and add slow tests suppression (#5465)
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2026-06-26 12:15:14 +02:00 |
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regtest-gauxc-gpw-mech
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Test native SKALA chunk routing across SCF iterations (#5555)
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2026-07-20 11:42:52 +02:00 |
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regtest-gauxc-gpw-mol
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Increase tolerance of OH_NATIVE_GPW_PBE_UKS_REFERENCE.inp (#5587)
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2026-07-13 18:27:48 +02:00 |
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regtest-gauxc-gpw-nlcc
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GauXC: Split regtests and add slow tests suppression (#5465)
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2026-06-26 12:15:14 +02:00 |
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regtest-gauxc-skala
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refactor: Remove OneDFT branding from GauXC interface (#5563)
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2026-07-10 09:05:04 +02:00 |
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regtest-gcscf
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Add grand canonical SCF for slab models (#5467)
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2026-07-01 12:23:41 +02:00 |
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regtest-gpw-1
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Printing Cartesian overlap matrix in line with Cartesian MOs such tha… (#5271)
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2026-05-24 15:27:23 +02:00 |
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regtest-gpw-2-1
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Add tests for force constant
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2025-09-12 09:43:02 +02:00 |
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regtest-gpw-2-2
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Testing: Move QS/C.inp into QS/regtest-gpw-2-2
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2026-03-23 17:48:46 +01:00 |
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regtest-gpw-2-3
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Adjust regtests and ignore tblite SCC mixer residual for OT/LS_SCF (#5357)
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2026-06-06 00:14:32 +02:00 |
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regtest-gpw-3
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Add conservative AUTO default for cell canonicalization (#5318)
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2026-05-30 20:11:58 +02:00 |
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regtest-gpw-4
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Motion: Remove &CELL_OPT/TYPE keyword (#5257)
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2026-05-21 17:31:40 +02:00 |
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regtest-gpw-5
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Fix dashboard issues (#4969)
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2026-03-17 11:49:42 +01:00 |
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regtest-gpw-6-2
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Adjust regtests and ignore tblite SCC mixer residual for OT/LS_SCF (#5357)
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2026-06-06 00:14:32 +02:00 |
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regtest-gpw-6-3
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Make spin-channel representation consistent in reciprocal-space mixing (#5126)
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2026-05-06 12:55:32 +02:00 |
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regtest-gpw-6-4
|
Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-gpw-7
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-gpw-8
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MAO output (#5443)
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2026-06-24 14:52:20 +02:00 |
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regtest-gpw-9
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Add conservative AUTO default for cell canonicalization (#5318)
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2026-05-30 20:11:58 +02:00 |
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regtest-grid
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Adjust tolerance of simple_non-ortho_grid_dgemm.inp (#5336)
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2026-06-01 22:30:40 +02:00 |
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regtest-gw
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Interface for greenX library
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2025-03-14 22:58:29 +01:00 |
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regtest-gw-cubic
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Adapt tolerances
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2026-04-20 10:53:59 +02:00 |
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regtest-gw-ic-model
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-gw-kpoints
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Fix perturbative SOC sign bug and molecular SOC path (#5513)
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2026-07-07 11:53:22 +02:00 |
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regtest-gw-realspace
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RIRS: Improve RI-RS GW implementation, enable Γ-point calculation for large cells and integrate compile-time fix (#5429)
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2026-06-23 21:46:58 +02:00 |
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regtest-gw2x
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RIXS| Open-Shell (#4533)
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2025-11-14 13:20:10 +01:00 |
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regtest-harris
|
Energy Correction Harris functional with k-points (#5031)
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2026-03-31 11:05:17 +02:00 |
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regtest-harris-kp
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Adjust tolerances on cc_s02.inp and H2O_gfn0_yz_kp_debug.inp (#5160)
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2026-05-09 16:56:10 +02:00 |
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regtest-hf-3c
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Jvp d3 library (#5346)
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2026-06-11 16:29:35 +02:00 |
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regtest-hfx
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Relax test tolerance
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2026-01-31 07:25:48 +01:00 |
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regtest-hfx-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-hfx-block
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-hfx-bug-1
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-hfx-periodic
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-hfx-ri
|
RI-HFXk| various improvements
|
2025-07-21 09:49:12 +02:00 |
|
regtest-hfx-ri-2
|
RI-HFXk| various improvements
|
2025-07-21 09:49:12 +02:00 |
|
regtest-hfx-stress
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-hfx-wfn-fitting
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-hirshfeld
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-hole-funct
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-hybrid-1
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-hybrid-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-hybrid-3
|
Merge device calls for better performance
|
2025-10-11 13:29:43 +02:00 |
|
regtest-hybrid-4
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-hybrid-ace-gs
|
Add Adaptively Compressed Exchange (ACE) option for hybrid DFT ground-state calculations (#5238)
|
2026-05-21 16:32:36 +02:00 |
|
regtest-iao
|
Printout for interface with ROSE (Lukas Guhl) (#5302)
|
2026-05-29 18:44:04 +02:00 |
|
regtest-kg
|
GAPW: final accurate XC integration coverage toward a future default (#5127)
|
2026-05-04 14:21:54 +02:00 |
|
regtest-kind
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-kp-1
|
Fix Bloch phases for fully symmetry-reduced k-point grids (#5581)
|
2026-07-13 19:41:54 +02:00 |
|
regtest-kp-1-spg
|
Fix Bloch phases for fully symmetry-reduced k-point grids (#5581)
|
2026-07-13 19:41:54 +02:00 |
|
regtest-kp-1-spglib
|
Docs: Clarify Wannier90 SCF MO reuse requirements (#5531)
|
2026-07-06 11:10:43 +02:00 |
|
regtest-kp-2
|
Add k-point symmetry reduction methods (#5123)
|
2026-05-03 12:48:36 +02:00 |
|
regtest-kp-3
|
Nest PDOS controls inside DOS print section and add documentation (#5335)
|
2026-06-02 11:40:05 +02:00 |
|
regtest-kp-hfx-ri
|
Fix Bloch phases for fully symmetry-reduced k-point grids (#5581)
|
2026-07-13 19:41:54 +02:00 |
|
regtest-kp-hfx-ri-2
|
ASPC (along with USE_PREV_WF) for k-points (#4884)
|
2026-03-04 19:02:31 +01:00 |
|
regtest-kp-hfx-ri-admm
|
RI-HFXk| various improvements
|
2025-07-21 09:49:12 +02:00 |
|
regtest-kp-hfx-ri-admm-2
|
Add k-point symmetry reduction methods (#5123)
|
2026-05-03 12:48:36 +02:00 |
|
regtest-kp-spglib
|
Improve k-point symmetry for Gamma-centered meshes and moving geometries (#5165)
|
2026-05-10 20:40:56 +02:00 |
|
regtest-kubo-transport
|
Support lower-dimensional Kubo transport (V. Efremkin) (#5216)
|
2026-05-16 16:10:41 +02:00 |
|
regtest-libgint
|
PR for adding libGint to CP2K (#5446)
|
2026-07-02 14:30:11 +02:00 |
|
regtest-libxc
|
Add conservative AUTO default for cell canonicalization (#5318)
|
2026-05-30 20:11:58 +02:00 |
|
regtest-linearscaling
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-LnPP2
|
Follow-up on #4440
|
2025-09-25 10:00:55 +02:00 |
|
regtest-loc_powf
|
Add localization of time-dependent orbitals (#5166)
|
2026-05-15 12:32:21 +02:00 |
|
regtest-lrigpw
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-lrigpw-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-ls-rtp
|
Adjusted tolerance
|
2025-07-22 14:22:46 +02:00 |
|
regtest-lsroks
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-lvlshift
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-md-extrap
|
GExt extrapolation in CP2K (#5043)
|
2026-04-07 10:29:55 +02:00 |
|
regtest-md-lgvregion
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-meta
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-mom-1
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-mom-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-moments-kpoints
|
Drop complex magnitude matching and use absolute values for k-point moment tests (#5364)
|
2026-06-06 23:40:05 +02:00 |
|
regtest-monovalent
|
Monovalent atoms (#4535)
|
2025-11-14 13:01:58 +01:00 |
|
regtest-mp2-1
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-2
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-3
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-4
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-mp2-admm-grad
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-admm-grad-numer
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-admm-stress
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-admm-stress-numer
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-block
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-grad-1
|
Specify numbers of MOs and AOs at different spots (#4295)
|
2025-07-16 16:26:39 +02:00 |
|
regtest-mp2-grad-2
|
Add conservative AUTO default for cell canonicalization (#5318)
|
2026-05-30 20:11:58 +02:00 |
|
regtest-mp2-grad-solvers
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-lr
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-lr-grad
|
Docker: Add psmp test running with 4 MPI ranks
|
2025-12-05 00:04:25 +01:00 |
|
regtest-mp2-lr-stress
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-mp2-stress
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-negf-1
|
Nest PDOS controls inside DOS print section and add documentation (#5335)
|
2026-06-02 11:40:05 +02:00 |
|
regtest-negf-2
|
Fix 8 slow tests
|
2026-01-09 19:40:46 +01:00 |
|
regtest-negf-xtb-1
|
NEGF: xTB added
|
2026-04-20 16:10:10 +02:00 |
|
regtest-new-pulay-mixing
|
Add new Pulay density mixing for grand canonical calculations (#5407)
|
2026-06-22 12:01:09 +02:00 |
|
regtest-nlmo
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-nmr-1
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-nmr-2
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-nmr-3
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-nmr-4
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-nmr-5
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-nmr-6
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-nmr-uks-1
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-nonortho
|
CMake: Fix libint2 Fortran module finding (#5317)
|
2026-05-31 12:05:28 +02:00 |
|
regtest-openpmd
|
Add openPMD output
|
2026-01-06 12:57:32 +01:00 |
|
regtest-optbas
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-ot
|
Nest PDOS controls inside DOS print section and add documentation (#5335)
|
2026-06-02 11:40:05 +02:00 |
|
regtest-ot-1
|
Docker: Add psmp test running with 4 MPI ranks
|
2025-12-05 00:04:25 +01:00 |
|
regtest-ot-1-vib
|
Include pexsi into pdbg tester (#4930)
|
2026-03-11 07:26:51 +01:00 |
|
regtest-ot-2
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-ot-refine
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-ot-refine-2
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-ot-refine-3
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-p-efield
|
Fix periodic e-field force prefactors (#5308)
|
2026-05-29 00:40:54 +02:00 |
|
regtest-pao-1
|
PAO: Abort on convergence failure
|
2026-02-08 18:37:33 +01:00 |
|
regtest-pao-2
|
PAO: Abort on convergence failure
|
2026-02-08 18:37:33 +01:00 |
|
regtest-pao-3
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-pao-4
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-pao-5
|
PAO-ML: Migrate to NequIP framework
|
2025-10-01 16:25:41 +02:00 |
|
regtest-pcc
|
CMake: Fix libint2 Fortran module finding (#5317)
|
2026-05-31 12:05:28 +02:00 |
|
regtest-pexsi
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-plus_u
|
Adapt ADDED_MOS automatically for the requested orbital information output
|
2026-03-14 16:37:05 +01:00 |
|
regtest-pod
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-polar
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-properties/resp
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-ps-implicit-1-1
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-ps-implicit-1-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-ps-implicit-1-3
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-ps-implicit-2-1
|
CG/Linesearch (#4141)
|
2025-04-15 20:13:30 +02:00 |
|
regtest-ps-implicit-2-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-ps-implicit-2-3
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-rel
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-ri-laplace-mp2
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-ri-laplace-mp2-cubic
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-ri-laplace-mp2-cubic-2
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-ri-mp2
|
Add conservative AUTO default for cell canonicalization (#5318)
|
2026-05-30 20:11:58 +02:00 |
|
regtest-ri-mp2-opt
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-ri-rpa
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-ri-rpa-exchange
|
Adjust tolerance of QS/regtest-ri-rpa-exchange/RPA_AXK_H2O_hfx.inp
|
2025-07-22 12:01:49 +02:00 |
|
regtest-ri-rpa-grad
|
Specify numbers of MOs and AOs at different spots (#4295)
|
2025-07-16 16:26:39 +02:00 |
|
regtest-ri-rpa-rse
|
Specify numbers of MOs and AOs at different spots (#4295)
|
2025-07-16 16:26:39 +02:00 |
|
regtest-rixs
|
Bug fix for TDDFPT oscillator strength for unrestricted calculations (#5251)
|
2026-05-19 21:05:03 +02:00 |
|
regtest-rma
|
Fix TB gradients, virials, and k-point symmetry
|
2026-05-06 00:47:46 +02:00 |
|
regtest-rma-3D
|
Fix TB gradients, virials, and k-point symmetry
|
2026-05-06 00:47:46 +02:00 |
|
regtest-rpa-cubic-scaling
|
Add k-point symmetry backends and guards (#5124)
|
2026-05-04 11:09:36 +02:00 |
|
regtest-rpa-cubic-scaling-2
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-rpa-lr
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-rpa-sigma
|
Toolchain: Add GreenX
|
2025-03-28 22:12:22 +01:00 |
|
regtest-rs-dhft
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-rtbse
|
RT-TDDFT+RT-BSE : Fourier Transform Outputs (#4527)
|
2025-11-12 16:36:34 +01:00 |
|
regtest-rtbse-gxac
|
Adjust slow test regtest-rtbse-gxac/h2_pade_ft.inp
|
2026-04-20 10:10:18 +02:00 |
|
regtest-rtp-1
|
compute the integral of the current density in emd/rtp simulations (#4139)
|
2025-04-14 17:29:11 +02:00 |
|
regtest-rtp-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-rtp-3
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-rtp-4
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-rtp-5
|
Add conservative AUTO default for cell canonicalization (#5318)
|
2026-05-30 20:11:58 +02:00 |
|
regtest-sasccs
|
Add Andreussi's Solvent Aware SCCS method (#5495)
|
2026-07-01 15:18:53 +02:00 |
|
regtest-scalable-gw
|
Fix perturbative SOC sign bug and molecular SOC path (#5513)
|
2026-07-07 11:53:22 +02:00 |
|
regtest-scalable-gw-restart-1
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-scalable-gw-restart-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-scalable-gw-restart-3
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-scalapack-generalized
|
Diagonalization: add opt-in direct generalized eigensolvers (#5108)
|
2026-05-05 16:26:45 +02:00 |
|
regtest-sccs-1
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-sccs-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-sccs-3
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-slab
|
Add conservative AUTO default for cell canonicalization (#5318)
|
2026-05-30 20:11:58 +02:00 |
|
regtest-smeagol-1
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-smeagol-2
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-sos-mp2-grad
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-sos-mp2-lr
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-sparsity
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-spgr
|
Fix TB gradients, virials, and k-point symmetry
|
2026-05-06 00:47:46 +02:00 |
|
regtest-spgr-id
|
Motion: Remove &CELL_OPT/TYPE keyword (#5257)
|
2026-05-21 17:31:40 +02:00 |
|
regtest-spin-spin-1
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-stda
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-stda-force
|
Refactoring of TDDFT oscillator strength calculation (#5205)
|
2026-05-15 19:43:05 +02:00 |
|
regtest-stda-force-2
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-stda-force-3
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-stda-force-4
|
Vibrational analysis: extend width of data field (#4922)
|
2026-03-09 14:21:41 +01:00 |
|
regtest-sto
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
|
regtest-stress
|
Fix TB gradients, virials, and k-point symmetry
|
2026-05-06 00:47:46 +02:00 |
|
regtest-stress-analytical-2d
|
Enable analytical periodic-subspace stress for 2D systems with ANALYTIC/MT (#5282)
|
2026-05-26 08:12:26 +02:00 |
|
regtest-sym-1
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-sym-2
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-sym-3
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-sym-4
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-sym-5
|
Tests: Convert TEST_TYPES to matchers.py
|
2025-03-01 19:07:38 +01:00 |
|
regtest-tddfpt
|
Bug fix for TDDFPT oscillator strength for unrestricted calculations (#5251)
|
2026-05-19 21:05:03 +02:00 |
|
regtest-tddfpt-2
|
Bug fix for TDDFPT oscillator strength for unrestricted calculations (#5251)
|
2026-05-19 21:05:03 +02:00 |
|
regtest-tddfpt-3
|
Bug fix for TDDFPT oscillator strength for unrestricted calculations (#5251)
|
2026-05-19 21:05:03 +02:00 |
|
regtest-tddfpt-4
|
Libxc 7.0.0 -> 7.1.1 (#5607)
|
2026-07-20 17:55:05 +02:00 |
|
regtest-tddfpt-admm
|
Tests: Rename some matchers
|
2025-03-08 12:10:39 +01:00 |
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regtest-tddfpt-bse
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Regtests for TDDFPT Oscillator Strength (#5192)
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2026-05-15 10:16:25 +02:00 |
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regtest-tddfpt-force
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-tddfpt-force-2
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Adjust tolerances
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2025-04-25 11:36:52 +02:00 |
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regtest-tddfpt-force-3
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-tddfpt-force-gapw
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Refactoring of TDDFT oscillator strength calculation (#5205)
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2026-05-15 19:43:05 +02:00 |
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regtest-tddfpt-force-gapw_xc
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-tddfpt-gapw
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Refactoring of TDDFT oscillator strength calculation (#5205)
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2026-05-15 19:43:05 +02:00 |
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regtest-tddfpt-lri
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Refactoring of TDDFT oscillator strength calculation (#5205)
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2026-05-15 19:43:05 +02:00 |
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regtest-tddfpt-os
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Bug fix for TDDFPT oscillator strength for unrestricted calculations (#5251)
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2026-05-19 21:05:03 +02:00 |
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regtest-tddfpt-prop
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-tddfpt-rse-1
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Refactoring of TDDFT oscillator strength calculation (#5205)
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2026-05-15 19:43:05 +02:00 |
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regtest-tddfpt-sf
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Regtests for TDDFPT Oscillator Strength (#5192)
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2026-05-15 10:16:25 +02:00 |
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regtest-tddfpt-sf-force
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Fix 8 slow tests
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2026-01-09 19:40:46 +01:00 |
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regtest-tddfpt-soc
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TDDFPT: Restricted excitation space SOC module (#4588)
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2025-12-04 14:40:02 +01:00 |
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regtest-tddfpt-static
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Refactoring of TDDFT oscillator strength calculation (#5205)
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2026-05-15 19:43:05 +02:00 |
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regtest-tddfpt-stda
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Bug fix for TDDFPT oscillator strength for unrestricted calculations (#5251)
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2026-05-19 21:05:03 +02:00 |
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regtest-tdwf
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Fix PBC image phase for k-point WFN extrapolation (#5219)
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2026-05-17 18:55:04 +02:00 |
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regtest-tipscan
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-trexio
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TREXIO: Export full k-point grids from symmetry-reduced SCF (S. Azadi) (#5297)
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2026-05-26 20:02:55 +02:00 |
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regtest-trexio-2
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Tests: Convert TEST_TYPES to matchers.py
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2025-03-01 19:07:38 +01:00 |
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regtest-wfn-restart
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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regtest-xastdp
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XAS_TDP| Bug fix in Q = 1 - SP projector (#5470)
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2026-06-27 11:43:36 +02:00 |
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regtest-xc
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |
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sample_pdb
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intermediate hack removed
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2003-10-09 15:14:53 +00:00 |
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sample_xyz
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new tests for mixing
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2016-05-27 15:21:41 +00:00 |
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untested_inputs
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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GAPW_ACCURATE_XCINT_COVERAGE.md
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Gauxc object caching (#5340)
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2026-07-15 13:48:13 +02:00 |
