..
Al.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
atomization_energies
updated Input_G1
2019-03-26 15:58:26 +01:00
B.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Be.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
BeH.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
C2H2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
C2H4.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
C2H6.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
C.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CH2_1A1.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CH2_3B1.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CH3.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CH3Cl.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CH4.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CH4.xyz
updated Input_G1
2019-03-26 15:58:26 +01:00
CH.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Cl2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Cl.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
ClF.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
ClO.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CN.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CO2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
CO.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
create_ezfio_from_g09_xyz.sh
updated Input_G1
2019-03-26 16:09:05 +01:00
CS.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
F2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
F.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
H2CO.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
H2O2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
H2O.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
H2S.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
H3COH.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
H3CSH.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
H3CSH.zmt
added Inputs_G1
2019-03-26 15:02:24 +01:00
H.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
HCl.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
HCN.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
HCO.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
HF.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
HOCl.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Li2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Li.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
LiF.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
LiH.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
list_atoms
updated list_atoms
2019-03-26 16:11:07 +01:00
list_molecules
added Inputs_G1
2019-03-26 15:02:24 +01:00
Mg.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
N2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
N2H4.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
N.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Na2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Na.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
NaCl.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
NH2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
NH3.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
NH.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
NO.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
O2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
O.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
OH.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
P2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
P.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
PH2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
PH2.zmt
updated Input_G1
2019-03-26 15:58:26 +01:00
PH3.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
qp_create_ezfio_from_g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
README
added Inputs_G1
2019-03-26 15:03:58 +01:00
S2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
S.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
script_G2_VD.sh
added Inputs_G1
2019-03-26 15:03:58 +01:00
Si2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Si2H6.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
Si.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
SiH2_1A1.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
SiH2_3B1.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
SiH3.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
SiH4.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
SiO.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
SO2.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
SO.g09_zmat
updated Input_G1
2019-03-26 15:58:26 +01:00
