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
|
S^2 for ground state OK
|
2020-10-03 22:16:38 +02:00 |
eDFT
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
HF
|
dipole UHF OK
|
2020-10-04 12:40:44 +02:00 |
LR
|
clean up oscillator strength
|
2020-10-04 14:22:38 +02:00 |
MBPT
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +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
|
dipole UHF OK
|
2020-10-04 12:40:44 +02:00 |
RPA
|
RPA -> LR
|
2020-10-04 13:58:55 +02:00 |
utils
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +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
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +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 |