|
ADC
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
AOtoMO
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
BasCor
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
CC
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
CI
|
sf-BSE
|
2020-10-06 14:24:54 +02:00 |
|
eDFT
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
HF
|
fix bug for zero electrons
|
2020-10-06 15:24:24 +02:00 |
|
LR
|
bug fix in sf-BSE-dyn
|
2020-10-06 16:15:47 +02:00 |
|
MBPT
|
Done with UACFDT
|
2020-10-07 22:51:30 +02:00 |
|
MC
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
modules
|
UBSE dynamic OK for spin-conserving transitions
|
2020-09-30 00:13:47 +02:00 |
|
MP
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
numgrid
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
QuAcK
|
Done with UACFDT
|
2020-10-07 22:51:30 +02:00 |
|
RPA
|
Done with UACFDT
|
2020-10-07 22:51:30 +02:00 |
|
utils
|
S^2 spin flip almost OK
|
2020-10-05 23:00:56 +02:00 |
|
.gitignore
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
IntPak.tgz
|
IntPak in tgz
|
2020-09-30 00:11:45 +02:00 |
|
Makefile
|
spin flip for CIS and TDHF almost done
|
2020-10-05 16:58:19 +02:00 |
|
Makefile.common
|
debugging sf
|
2020-09-30 09:59:18 +02:00 |
|
Makefile.include
|
debugging sf
|
2020-09-30 09:59:18 +02:00 |
