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mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
quack/src/LR
2024-08-30 20:15:39 +02:00
..
obj RPA -> LR 2020-10-04 13:58:55 +02:00
phLR_A.f90 rename LR matrices 2023-07-12 22:37:04 +02:00
phLR_B.f90 rename LR matrices 2023-07-12 22:37:04 +02:00
phLR_oscillator_strength.f90 fix bug in UG0W0 2023-10-23 21:36:07 +02:00
phLR_transition_vectors.f90 rename LR routines 2023-07-28 14:14:35 +02:00
phLR.f90 correct big bug in HF search 2023-11-28 10:40:15 +01:00
phULR_A.f90 clean up print excitation energy 2023-11-22 10:07:23 +01:00
phULR_B.f90 clean up print excitation energy 2023-11-22 10:07:23 +01:00
phULR_oscillator_strength.f90 rename LR routines 2023-07-28 14:14:35 +02:00
phULR_transition_vectors.f90 rename LR routines 2023-07-28 14:14:35 +02:00
phULR.f90 there is a bug in UG0W0 2023-11-20 21:34:08 +01:00
ppLR_B.f90 rename LR matrices 2023-07-12 22:37:04 +02:00
ppLR_C_od.f90 rename LR matrices 2023-07-12 22:37:04 +02:00
ppLR_C.f90 OpenMP in ppLR_C for ispin = 1 2024-08-22 18:15:11 +02:00
ppLR_D_od.f90 rename LR matrices 2023-07-12 22:37:04 +02:00
ppLR_D.f90 rename LR matrices 2023-07-12 22:37:04 +02:00
ppLR_oscillator_strength.f90 rename LR routines 2023-07-28 14:14:35 +02:00
ppLR_transition_vectors.f90 change one print in ppLR to allow for more decimals 2024-07-03 17:06:54 +02:00
ppLR.f90 v0 of FeatherBench 2024-08-30 20:15:39 +02:00
ppULR_B.f90 rename ULR routines 2023-07-21 13:04:29 +02:00
ppULR_C.f90 rename ULR routines 2023-07-21 13:04:29 +02:00
ppULR_D.f90 rename ULR routines 2023-07-21 13:04:29 +02:00
ppULR.f90 rename ULR routines 2023-07-21 13:04:29 +02:00
print_excitation_energies.f90 clean up print excitation energy 2023-11-22 10:07:23 +01:00
S2_expval.f90 add S2 2023-07-27 11:38:56 +02:00