|
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
|
modified print again
|
2023-11-28 14:44:26 +01:00 |
|
HF
|
correct big bug in HF search
|
2023-11-28 10:40:15 +01:00 |
|
LR
|
correct big bug in HF search
|
2023-11-28 10:40:15 +01:00 |
|
MP
|
modify print in test
|
2023-11-14 14:31:27 +01:00 |
|
QuAcK
|
correct big bug in HF search
|
2023-11-28 10:40:15 +01:00 |
|
RPA
|
cleanup again in print
|
2023-11-27 23:25:10 +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
|
commit RG0W0
|
2023-11-27 10:02:33 +01:00 |
|
Makefile
|
Linux
|
2020-10-14 17:09:07 +02:00 |
