LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-19 12:32:34 +01:00
Code Issues Releases Wiki Activity
b4904d65df
quantum_package/data/inputs
History
Anthony Scemama 2f3c451a4e Updated input files with atom labels
2014-04-11 01:56:30 +02:00
..
Al.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Al+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
AlCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
AlH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
AlH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
AlH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
B.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
B+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Be.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Be+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BeCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BeF.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BeH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BeH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BeO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BeOH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BeS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
BS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H3+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H4.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H4+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H5.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H6.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C2H.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
C+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CF.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH2_1A1.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH2_3B1.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH2-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH3-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH4.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH4+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Cl2-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Cl2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Cl2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Cl-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Cl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Cl+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
ClH2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
ClH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
ClH+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
ClS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
ClSiH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CN-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CN.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CO2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CO+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
COS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CP.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CS2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CS+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
CSi.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
F2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
F-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
F.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
F+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FAl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FCl+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FH+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FMg.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FNa.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FP.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FSi.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
FSiH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H2CNH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H2CO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H2CPH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H2CS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H2NNH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H2PPH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H3CCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H3CF.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H3CNH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H3COH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H3CSH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H3SiSiH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
H.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HBO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HBS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HCF.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HCN.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HCO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HCP.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HNO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HOCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HOF.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HOMg.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HONa.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HOO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HOOH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
HSSH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Li2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Li.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Li+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
LiCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
LiF.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
LiH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
LiN.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
LiO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
LiOH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Makefile Tests more general 2014-04-07 22:47:34 +02:00
Mg.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Mg+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
MgCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
MgH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
MgS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
N2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
N2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
N.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
N+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Na2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Na.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Na+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NaCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NaH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NF.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NH2-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NH3+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NH4+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NH-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NO-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NO.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NP.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
NSi.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O2-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O2Cl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O2S.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O2Si.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
O+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OH2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OH3+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OH-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OH+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OMg.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
ONa.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OP-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OP.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OPH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
OSi.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
P2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
P2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
P-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
P.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PH2-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PH2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PH3+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PH4+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PH-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
PS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
S2-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
S2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
S-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
S.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
S+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SH2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SH2+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SH3+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SH-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SH+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Si2.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Si-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
Si.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiCl.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH2_1A1.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH2_3B1.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH2-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH3-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH3.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH4.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH4+.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH-.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiH.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00
SiS.md5 Updated input files with atom labels 2014-04-11 01:56:30 +02:00