Pierre-Francois Loos f7373f571b bug in print ufGW

2023-11-27 10:49:13 +01:00

..

AOtoMO

dgemm for GHF AOtoMO transformation

2023-11-24 10:51:31 +01:00

CC

clean up print excitation energy

2023-11-22 10:07:23 +01:00

CI

fix bug in AOtoMO transform for UHF

2023-11-22 14:54:05 +01:00

GF

timing in ufGW

2023-11-27 10:17:14 +01:00

GT

timing in ufGW

2023-11-27 10:17:14 +01:00

GW

bug in print ufGW

2023-11-27 10:49:13 +01:00

HF

clean up AOtoMO transform

2023-11-22 17:02:46 +01:00

LR

clean up print excitation energy

2023-11-22 10:07:23 +01:00

MP

modify print in test

2023-11-14 14:31:27 +01:00

QuAcK

clean up AOtoMO transform

2023-11-22 17:02:46 +01:00

RPA

fix bug in AOtoMO transform for UHF

2023-11-22 14:54:05 +01:00

test

add more test in HF

2023-11-12 23:02:20 +01:00

utils

fix scf convergence issues in RHF, UHF, ROHF and GHF

2023-11-17 00:26:44 +01:00

.gitignore

int directory

2020-10-13 20:59:03 +02:00

eDFT.tgz

remove eDFT

2023-07-03 14:41:46 +02:00

make_ninja.py

fix bug in AOtoMO transform for UHF

2023-11-22 14:54:05 +01:00

Makefile

Linux

2020-10-14 17:09:07 +02:00