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2H2O_ecmao.inp
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Format all input files
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2H2O_ecmao2.inp
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2023-12-18 22:41:19 +01:00 |
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EXT1.inp
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Framework to calculate response forces for external energy expressions based on KS orbitals (#3721)
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2024-10-14 09:33:58 +02:00 |
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EXT2.inp
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Framework to calculate response forces for external energy expressions based on KS orbitals (#3721)
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2024-10-14 09:33:58 +02:00 |
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EXT3.inp
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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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EXT4.inp
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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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EXT5.inp
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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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EXT6.inp
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Fix 8 slow tests
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2026-01-09 19:40:46 +01:00 |
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EXTerror.inp
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Response force error calculation from external sampling (#4672)
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2026-01-07 16:23:01 +01:00 |
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H2_H2O-xcLLP_ec.inp
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H2_H2O_ec.inp
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H2_H2O_ecprim.inp
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2023-12-18 22:41:19 +01:00 |
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H2_H2O_KSKGeH_AO_an.inp
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2023-12-18 22:41:19 +01:00 |
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H2_H2O_KSKGeH_AO_grad.inp
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H2_H2O_KSKGeH_MO_an.inp
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2023-12-18 22:41:19 +01:00 |
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H2_H2O_KSKGeH_MO_grad.inp
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2023-12-18 22:41:19 +01:00 |
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H2_H2O_LSKGaH_AO_an.inp
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2023-12-18 22:41:19 +01:00 |
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H2_H2O_LSKGaH_AO_grad.inp
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2023-12-18 22:41:19 +01:00 |
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H2_H2O_LSKGaH_MO_an.inp
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2023-12-18 22:41:19 +01:00 |
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H2_H2O_LSKGaH_MO_grad.inp
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2023-12-18 22:41:19 +01:00 |
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H2O_ec.inp
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2023-12-18 22:41:19 +01:00 |
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H2O_ec_otdiag_atomic.inp
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2023-12-18 22:41:19 +01:00 |
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H2O_ec_otdiag_gs.inp
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2023-12-18 22:41:19 +01:00 |
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H2O_ec_sign.inp
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2023-12-18 22:41:19 +01:00 |
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H2O_ec_trs4.inp
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2023-12-18 22:41:19 +01:00 |
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H2O_KSH_AO_numdiag.inp
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2023-12-18 22:41:19 +01:00 |
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H2O_KSH_MO_an.inp
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2023-12-18 22:41:19 +01:00 |
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harris.inp
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2023-12-18 22:41:19 +01:00 |
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HF2_ec_voronoi.inp
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HF_ec_dipole.inp
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HF_ec_field.inp
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2023-12-18 22:41:19 +01:00 |
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HF_ec_voronoi.inp
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2023-12-18 22:41:19 +01:00 |
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KG_POTENTIAL
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Adding density matrix based conjugate-gradient linear response solver. (#1664)
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2021-10-05 11:36:40 +02:00 |
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N2_ec-hfx-admm.inp
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2023-12-18 22:41:19 +01:00 |
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N2_ec-hfx.inp
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2023-12-18 22:41:19 +01:00 |
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N2_ec.inp
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2023-12-18 22:41:19 +01:00 |
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N2_ec_tc2.inp
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2023-12-18 22:41:19 +01:00 |
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TEST_FILES.toml
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Docker: Fix Intel testers (#5517)
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2026-07-04 20:42:51 +02:00 |
