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mirror of https://github.com/pfloos/quack synced 2024-10-28 17:58:28 +01:00
quack/src/LR
2024-09-11 09:51:07 +02:00
..
obj
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
phLR.f90
phULR_A.f90
phULR_B.f90
phULR_oscillator_strength.f90
phULR_transition_vectors.f90
phULR.f90
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 creating new routines gor G branch in RPA, LR, GF and GW 2024-09-06 22:14:51 +02:00
ppLR_B.f90 remove redundant code 2024-09-08 16:19:03 +02:00
ppLR_C_od.f90 remove redundant code 2024-09-08 16:19:03 +02:00
ppLR_C.f90 remove redundant code 2024-09-08 16:19:03 +02:00
ppLR_D_od.f90 remove redundant code 2024-09-08 16:19:03 +02:00
ppLR_D.f90 remove redundant code 2024-09-08 16:19:03 +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 more optim in BSE (davidson) kernels 2024-09-11 09:51:07 +02:00
ppLR_oscillator_strength.f90
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 Davidson refact + add BSEpp@GW kernels (naive version) 2024-09-10 16:27:49 +02:00
ppULR_B.f90
ppULR_C.f90
ppULR_D.f90
ppULR.f90
print_excitation_energies.f90
S2_expval.f90