eginer ed30db5b81 Merge branch 'master' of https://github.com/pfloos/srDFT_G2		2019-03-21 17:42:17 +01:00
..
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	added all G2 at CIPSI + RHF basis	2019-03-21 17:42:05 +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	graphs	2019-03-21 17:35:21 +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	2019-03-21 17:35:21 +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	graphs	2019-03-21 17:35:21 +01:00