cp2k/tests/QS
2025-07-22 16:39:38 +02:00
..
regtest-admm-1 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-admm-2 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-admm-3 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-admm-4 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-admm-dm CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-admm-gapw CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-admm-libxc Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-admm-qps Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-admm-qps-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-admm-type Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-all-electron Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-almo-1 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-almo-2 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-almo-eda Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-almo-md Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-almo-strong Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-almo-trustr Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-as Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-as-1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-as-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-as-3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-as-dft Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-bs Adapt tolerance 2025-06-18 14:26:57 +02:00
regtest-bse Adjust tolerance of BSE_H2O_PBE_evGW0_TDHF_screening.inp 2025-03-09 23:21:51 +01:00
regtest-cdft-1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-3-1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-4-1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-4-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-4-3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-5 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-diag Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-cdft-hirshfeld Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-hirshfeld-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-cdft-hirshfeld-3 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-chi-1 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-corr_dipm Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-cusolver Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-dcdft-force Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dcdft-hfx Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dcdft-stress Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dcdr Atomic polarization tensors via numerical differentiation 2025-07-21 19:40:43 +02:00
regtest-debug-1 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-debug-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-debug-3 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-debug-4 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-debug-5 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-debug-6 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-debug-7 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dft-filtermat Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dft-vdw-corr-1 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dft-vdw-corr-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-dft-vdw-corr-3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-dft-vdw-corr-4 Jvp ghost d4 (#4005) 2025-03-07 14:36:25 +01:00
regtest-dlaf Improve DLA-Future integration 2025-04-30 19:44:01 +02:00
regtest-dlaf-2 Improve DLA-Future integration 2025-04-30 19:44:01 +02:00
regtest-dm-ls-scf-1 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dm-ls-scf-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dm-ls-scf-3 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-dm-ls-scf-4 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-1 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-3 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-grad Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-grad-laplace Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-grad-meta Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-grad-numer Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-grad-numer-meta Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-stress Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-stress-laplace Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-stress-meta Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-stress-numer Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-stress-numer-laplace Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-double-hybrid-stress-numer-meta Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-ec Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-ec-force Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-ec-meta Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-ec-stress Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-ecp Grpp: Fix floating point exception in grpp_screening.c 2025-07-21 13:14:37 +02:00
regtest-ecp-2 Grpp: Fix floating point exception in grpp_screening.c 2025-07-21 13:14:37 +02:00
regtest-ed Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-eht-guess Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-elpa Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-elpa-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-elpa-qr Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-embed Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-epr-1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-epr-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-fftw Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-fftw-wisdom Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-gapw CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-gapw-1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gapw-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gapw-3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gapw-4 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gapw-ext Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gapw_xc CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-gpw-1 Remove old TDDFPT code (#4066) 2025-03-11 17:24:23 +01:00
regtest-gpw-2-1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-2-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-2-3 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-gpw-3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-4 Workaround Floating-point exception in H2O_wavelet_XZ.inp 2025-07-20 10:20:55 +02:00
regtest-gpw-5 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-6-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-6-3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-6-4 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-7 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-8 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gpw-9 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-grid CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-gw Interface for greenX library 2025-03-14 22:58:29 +01:00
regtest-gw-cubic Interface for greenX library 2025-03-14 22:58:29 +01:00
regtest-gw-ic-model Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-gw-kpoints Toolchain: Add GreenX 2025-03-28 22:12:22 +01:00
regtest-gw2x Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-harris Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-hf-3c Fix GCP 2025-05-09 10:35:54 +02:00
regtest-hfx Adjust tolerances after Merlin update from RHEL7 to RHEL8 2025-05-01 15:07:57 +02:00
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 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-hybrid-4 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-iao Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-kg Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-kind Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-kp-1 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-kp-2 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-kp-3 Smearing with fixed magnetic moment for k-points (#4131) 2025-04-10 15:21:18 +02:00
regtest-kp-hfx-ri RI-HFXk| various improvements 2025-07-21 09:49:12 +02:00
regtest-kp-hfx-ri-2 Adjust tolerance of QS/regtest-kp-hfx-ri-2/diamond_gpw_stress.inp 2025-07-21 13:33:45 +02:00
regtest-kp-hfx-ri-admm RI-HFXk| various improvements 2025-07-21 09:49:12 +02:00
regtest-kp-hfx-ri-admm-2 RI-HFXk| various improvements 2025-07-21 09:49:12 +02:00
regtest-libxc Remove old TDDFPT code (#4066) 2025-03-11 17:24:23 +01:00
regtest-linearscaling Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-LnPP2 Adjust tolerances 2025-04-25 11:36:52 +02:00
regtest-loc_powf Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
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 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
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-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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-negf-fft Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
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 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-optbas CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-ot Adjust regtests (#4142) 2025-04-16 12:23:35 +02:00
regtest-ot-1 CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
regtest-ot-1-vib Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +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 Adapt tolerances 2025-04-24 12:22:23 +02:00
regtest-pao-1 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-pao-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-pexsi Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-plus_u CG/Linesearch (#4141) 2025-04-15 20:13:30 +02:00
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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
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 Resonant Inelastic X-ray Spectroscopy (RIXS) Module 2025-07-22 16:39:38 +02:00
regtest-rma Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-rma-3D Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-rpa-cubic-scaling Interface for greenX library 2025-03-14 22:58:29 +01:00
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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-rtbse-gxac RTBSE : Padé FT Refinement 2025-04-01 14:20:49 +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 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-scalable-gw Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
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-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 Adjust regtests (#4142) 2025-04-16 12:23:35 +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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-spgr-id prettify 2025-07-03 16:33:26 +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 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-sto Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-stress Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
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 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-3 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-4 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-admm Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-tddfpt-force Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-tddfpt-force-2 Adjust tolerances 2025-04-25 11:36:52 +02:00
regtest-tddfpt-force-3 Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-tddfpt-force-gapw Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-force-gapw_xc Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-gapw Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-lri Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-prop Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-tddfpt-soc Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-static Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tddfpt-stda Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-tipscan Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-trexio Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-trexio-2 Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-wfn-restart Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
regtest-xastdp Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00
regtest-xc Tests: Rename some matchers 2025-03-08 12:10:39 +01:00
sample_pdb
sample_xyz new tests for mixing 2016-05-27 15:21:41 +00:00
untested_inputs Format all input files 2023-12-18 22:41:19 +01:00
C.inp Format all input files 2023-12-18 22:41:19 +01:00
TEST_FILES.toml Tests: Rename some matchers 2025-03-08 12:10:39 +01:00