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quack/examples
History
Pierre-Francois Loos 3246143355 Ec AC
2020-01-08 10:17:19 +01:00
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auxbasis.Be.VDZ-F12_OPTRI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.Be.VDZ-RI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.Be.VTZ-F12_OPTRI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.H2.AVDZ_OPTRI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.H2.AVTZ_OPTRI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.H2.VDZ-RI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.H2.VTZ_OPTRI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.H2.VTZ-RI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.He.AVDZ_OPTRI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.He.AVDZ-RI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.He.AVTZ_OPTRI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.He.AVTZ-RI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.He.VDZ-RI
removing examples
2019-03-19 10:18:03 +01:00
auxbasis.He.VTZ-RI
removing examples
2019-03-19 10:18:03 +01:00
basis.B+.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.B+.VTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.Be2.VDZ
new examples
2019-10-06 22:37:51 +02:00
basis.Be.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.Be.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.Be.AVTZ
new examples
2019-10-06 22:37:51 +02:00
basis.Be.STO-3G
basis correction
2019-07-09 16:17:10 +02:00
basis.Be.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.Be.VDZ-F12
removing examples
2019-03-19 10:18:03 +01:00
basis.Be.VTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.BeO.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.BeO.def2-TZVPP
removing examples
2019-03-19 10:18:03 +01:00
basis.BH.STO-3G
removing examples
2019-03-19 10:18:03 +01:00
basis.BN.1.2.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.BN.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.BN.def2-TZVPP
removing examples
2019-03-19 10:18:03 +01:00
basis.Bo
removing examples
2019-03-19 10:18:03 +01:00
basis.C2.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.C2.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.CH+.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.F2.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.F2.STO-3G
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.0.515.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.1.1.VTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.6-31Gss
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.AVDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.AVQZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.AVTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.STO-3G
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.VQZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H2.VTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H2O.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.H2O.6-31Gss
removing examples
2019-03-19 10:18:03 +01:00
basis.H2O.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H2O.VTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H-.AVDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H-.AVQZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H-.AVTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H-.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H-.VQZ
removing examples
2019-03-19 10:18:03 +01:00
basis.H-.VTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.He.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.He.6-31Gss
removing examples
2019-03-19 10:18:03 +01:00
basis.He.AVDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.He.AVTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.He.V5Z
removing examples
2019-03-19 10:18:03 +01:00
basis.He.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.He.VDZ.VDZ-RI
new examples
2019-10-06 22:37:51 +02:00
basis.He.VQZ
removing examples
2019-03-19 10:18:03 +01:00
basis.He.VTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.He.VTZ.VTZ-RI
new examples
2019-10-06 22:37:51 +02:00
basis.HeH+.0.16.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.HeH+.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.HF
removing examples
2019-03-19 10:18:03 +01:00
basis.Li.VDZ
new examples
2019-10-06 22:37:51 +02:00
basis.LiF.STO-3G
removing examples
2019-03-19 10:18:03 +01:00
basis.LiF.VDZ
new examples
2019-10-06 22:37:51 +02:00
basis.LiH.0.04.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.LiH.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.LiH.6-31Gss
removing examples
2019-03-19 10:18:03 +01:00
basis.LiH.AVDZ
new examples
2019-10-06 22:37:51 +02:00
basis.LiH.def2-TZVPP
removing examples
2019-03-19 10:18:03 +01:00
basis.LiH.STO-3G
removing examples
2019-03-19 10:18:03 +01:00
basis.LiH.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.Mg.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.N2.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.N2.6-31Gss
removing examples
2019-03-19 10:18:03 +01:00
basis.N2.AVDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.N2.STO-3G
new examples
2019-10-06 22:37:51 +02:00
basis.N2.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.Ne.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.Ne.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.Ne.VQZ
new examples
2019-10-06 22:37:51 +02:00
basis.Ne.VTZ
removing examples
2019-03-19 10:18:03 +01:00
basis.O2.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.O2.6-31Gss
removing examples
2019-03-19 10:18:03 +01:00
basis.O3-OM.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.O3-RM.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.O3-TS.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.O3.6-31G
removing examples
2019-03-19 10:18:03 +01:00
basis.O3.6-31Gs
removing examples
2019-03-19 10:18:03 +01:00
basis.O3.VDZ
removing examples
2019-03-19 10:18:03 +01:00
basis.Sp.Pl0
new examples
2019-10-06 22:37:51 +02:00
basis.Sp.Pl1
new examples
2019-10-06 22:37:51 +02:00
basis.Sp.Pl2
new examples
2019-10-06 22:37:51 +02:00
basis.Sp.Pl3
new examples
2019-10-06 22:37:51 +02:00
basis.Sp.Pl4
new examples
2019-10-06 22:37:51 +02:00
basis.Sp.Pl5
new examples
2019-10-06 22:37:51 +02:00
basis.Sph.Ylm0
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm1
removing examples
2019-03-19 10:18:03 +01:00
basis.Sph.Ylm2
removing examples
2019-03-19 10:18:03 +01:00
basis.Sph.Ylm3
removing examples
2019-03-19 10:18:03 +01:00
basis.Sph.Ylm4
removing examples
2019-03-19 10:18:03 +01:00
basis.Sph.Ylm5
removing examples
2019-03-19 10:18:03 +01:00
basis.Sph.Ylm6
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm7
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm8
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm9
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm10
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm11
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm12
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm13
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm14
adding files
2019-05-07 22:57:57 +02:00
basis.Sph.Ylm15
adding files
2019-05-07 22:57:57 +02:00
molecule.B+
removing examples
2019-03-19 10:18:03 +01:00
molecule.Be
IntPak read geom fixed
2019-03-31 22:28:04 +02:00
molecule.Be2
new examples
2019-10-06 22:37:51 +02:00
molecule.BeO
removing examples
2019-03-19 10:18:03 +01:00
molecule.BH
removing examples
2019-03-19 10:18:03 +01:00
molecule.BN
removing examples
2019-03-19 10:18:03 +01:00
molecule.Bo
removing examples
2019-03-19 10:18:03 +01:00
molecule.C2
removing examples
2019-03-19 10:18:03 +01:00
molecule.CH+
removing examples
2019-03-19 10:18:03 +01:00
molecule.CO
removing examples
2019-03-19 10:18:03 +01:00
molecule.F2
G0T0 bug and clean up
2019-10-18 23:16:37 +02:00
molecule.H2
pp-RPA
2019-10-06 20:08:38 +02:00
molecule.H2O
removing examples
2019-03-19 10:18:03 +01:00
molecule.H-
removing examples
2019-03-19 10:18:03 +01:00
molecule.He
UHF is working
2019-03-19 11:21:34 +01:00
molecule.HeH+
removing examples
2019-03-19 10:18:03 +01:00
molecule.HF
removing examples
2019-03-19 10:18:03 +01:00
molecule.Li
new examples
2019-10-06 22:37:51 +02:00
molecule.Li2
removing examples
2019-03-19 10:18:03 +01:00
molecule.LiF
stupid big in qsGW BSE
2019-09-26 21:36:46 +02:00
molecule.LiH
G0T0 bug and clean up
2019-10-18 23:16:37 +02:00
molecule.Mg
removing examples
2019-03-19 10:18:03 +01:00
molecule.N2
Ec AC
2020-01-08 10:17:19 +01:00
molecule.Ne
UHF is working
2019-03-19 11:21:34 +01:00
molecule.O2
removing examples
2019-03-19 10:18:03 +01:00
molecule.O3
bug
2019-10-28 16:34:09 +01:00
molecule.O3-OM
removing examples
2019-03-19 10:18:03 +01:00
molecule.O3-RM
removing examples
2019-03-19 10:18:03 +01:00
molecule.O3-TS
removing examples
2019-03-19 10:18:03 +01:00
molecule.Sp_2
new examples
2019-10-06 22:37:51 +02:00
molecule.Sp_8
new examples
2019-10-06 22:37:51 +02:00
molecule.Sp_18
new examples
2019-10-06 22:37:51 +02:00
molecule.Sp_32
new examples
2019-10-06 22:37:51 +02:00
molecule.Sp_50
new examples
2019-10-06 22:37:51 +02:00
molecule.Sp_72
new examples
2019-10-06 22:37:51 +02:00
molecule.Sp_98
new examples
2019-10-06 22:37:51 +02:00
molecule.Sph_2
adding files
2019-05-07 22:57:57 +02:00
molecule.Sph_8
adding files
2019-05-07 22:57:57 +02:00
molecule.Sph_18
adding files
2019-05-07 22:57:57 +02:00
molecule.Sph_32
adding files
2019-05-07 22:57:57 +02:00
molecule.Sph_50
adding files
2019-05-07 22:57:57 +02:00
molecule.Sph_72
adding files
2019-05-07 22:57:57 +02:00
molecule.Sph_98
adding files
2019-05-07 22:57:57 +02:00