| .. |
|
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.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.Be2.VDZ
|
new examples
|
2019-10-06 22:37:51 +02:00 |
|
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.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.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.H2.0.515.6-31G
|
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.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+.6-31G
|
removing examples
|
2019-03-19 10:18:03 +01:00 |
|
basis.HeH+.0.16.6-31G
|
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.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.0.04.6-31Gs
|
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.H-
|
removing examples
|
2019-03-19 10:18:03 +01:00 |
|
molecule.H2
|
clean up
|
2020-01-15 22:29:43 +01:00 |
|
molecule.H2O
|
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
|
RPAx AC vs Tr
|
2020-01-16 23:13:47 +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 |
