.. |
aug-cc-pVDZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
avdz-bfd
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
Bk3-cc-pVDZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
Bk3-cc-pVQZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
Bk3-cc-pVTZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
Bk4-cc-pVDZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
cc-pVDZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
cc-pVTZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
CIPSI3-cc-pVDZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
CIPSI3-cc-pVQZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
CIPSI3-cc-pVTZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
CIPSI4-cc-pVDZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
CIPSI4-cc-pVQZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
CIPSI4-cc-pVTZ
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
data_C2
|
added G2_CIPSI_VDZ_PBE.dat G2_CIPSI_VDZ_PBE_valence.dat
|
2019-03-06 17:18:56 +01:00 |
data_last
|
G2_CIPSI_VTZ_PBE_valence.dat and G2_CIPSI_VTZ_PBE.dat are OK
|
2019-03-13 17:36:13 +01:00 |
data_sr_dft_new
|
nb
|
2019-02-28 14:08:23 +01:00 |
data_srDFT
|
Na Li
|
2018-12-19 12:10:16 +01:00 |
vdz-bfd
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
vtz-bfd
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
.DS_Store
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
G2_cc-pVDZ.dat
|
data plain CIPSI
|
2019-02-28 14:16:20 +01:00 |
G2_cc-pVTZ.dat
|
data plain CIPSI
|
2019-02-28 14:16:20 +01:00 |
mol.list
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
rename.sh
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
VDZ_3.tgz
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
VDZ_4_sBk.tgz
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
VDZ_4.tgz
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
VDZ.pdf
|
graphs with PBE
|
2019-03-06 21:32:16 +01:00 |
VQZ_3_sBk.tgz
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
VQZ_3.tgz
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
VTZ_3_sBk.tgz
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
VTZ_3.tgz
|
Initial commit
|
2018-12-04 15:15:01 +01:00 |
VTZ.pdf
|
new graph
|
2019-03-13 18:25:09 +01:00 |