|
|
a0d22860fc
|
add S square and excitations of sf-cis
|
2020-11-20 09:26:43 +01:00 |
|
|
|
45c2c662e3
|
mv the inputs and outputs of Be calculation
|
2020-11-20 09:18:48 +01:00 |
|
|
|
0098a9447f
|
test the change directory
|
2020-11-20 09:12:10 +01:00 |
|
|
|
f9351f5e3c
|
remove directory
|
2020-11-20 09:01:37 +01:00 |
|
|
|
b8072d9f63
|
ouput of EOM-CCSD
|
2020-11-20 08:58:00 +01:00 |
|
|
|
9b278e4c72
|
change in the directory
|
2020-11-20 07:46:08 +01:00 |
|
|
|
1f4c33cefd
|
add H2 triplet state energy with SF-CIS
|
2020-11-19 16:57:28 +01:00 |
|
|
|
076478f338
|
EOM-CCSD results for H2
|
2020-11-16 07:19:22 +01:00 |
|
|
|
d2406e9997
|
EOM singlets for H2
|
2020-11-13 07:25:06 +01:00 |
|
|
|
5f27d01adf
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2020-11-12 08:20:19 +01:00 |
|
|
|
6a8d599bda
|
EOM results on H2
|
2020-11-12 08:18:49 +01:00 |
|
EnzoMonino
|
983c139826
|
H2 SF-CIS notebook
|
2020-11-05 16:39:28 +01:00 |
|
|
|
036ea70207
|
results of SF-CIS on H2
|
2020-11-05 11:39:13 +01:00 |
|
|
|
c0bd9c59c6
|
input and output of SF-TDDFT
|
2020-11-04 10:05:19 +01:00 |
|
|
|
0f9a7a5328
|
input and output
|
2020-11-04 09:55:11 +01:00 |
|
EnzoMonino
|
297fc09d83
|
output and input of the BSE calculations
|
2020-11-03 17:04:17 +01:00 |
|
EnzoMonino
|
ecfbf70ce2
|
Add output
|
2020-11-03 09:34:26 +01:00 |
|
