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mirror of https://github.com/pfloos/quack synced 2024-10-28 09:48:27 +01:00
quack/src/LR
Pierre-Francois Loos 180ed63d74 fix bug
2024-09-13 09:52:31 +02:00
..
obj RPA -> LR 2020-10-04 13:58:55 +02:00
phGLR_A.f90 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
phGLR_B.f90 phGLR subroutines 2024-09-06 21:35:42 +02:00
phGLR.f90 phGLR subroutines 2024-09-06 21:35:42 +02:00
phLR_A.f90 remove redundant code 2024-09-08 16:19:03 +02:00
phLR_B.f90 remove redundant code 2024-09-08 16:19:03 +02:00
phLR_oscillator_strength.f90 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +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
ppGLR_B.f90 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
ppGLR_C.f90 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
ppGLR_D.f90 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
ppGLR.f90 fix bug 2024-09-13 09:52:31 +02:00
ppLR_B.f90 ok with RG0T0pp now 2024-09-12 22:01:06 +02:00
ppLR_C_od.f90 remove redundant code 2024-09-08 16:19:03 +02:00
ppLR_C.f90 ok with RG0T0pp now 2024-09-12 22:01:06 +02:00
ppLR_D_od.f90 remove redundant code 2024-09-08 16:19:03 +02:00
ppLR_D.f90 ok with RG0T0pp now 2024-09-12 22:01:06 +02:00
ppLR_davidson.f90 optimized ppBSE kernels for Davidson: ispin = 2 + ERI access improv 2024-09-11 01:36:42 +02:00
ppLR_GW_davidson.f90 opt in RGW_excitation_density 2024-09-11 10:43:07 +02:00
ppLR_oscillator_strength.f90 rename LR routines 2023-07-28 14:14:35 +02:00
ppLR_RPA_davidson.f90 Davidson refact + add BSEpp@GW kernels (naive version) 2024-09-10 16:27:49 +02:00
ppLR_transition_vectors.f90 openMP implementation of the VV block for ppBSE@GF2 2024-09-06 11:26:47 +02:00
ppLR.f90 redefine ppLR matrix 2024-09-13 09:33:43 +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 redefine ppLR matrix 2024-09-13 09:33:43 +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