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srDFT_G2/Data
History
Pierre-Francois Loos 73bbf81569 new graph
2019-03-13 18:25:09 +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
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