| .. |
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auxbasis.Be.VDZ-F12_OPTRI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.Be.VDZ-RI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.Be.VTZ-F12_OPTRI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.H2.AVDZ_OPTRI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.H2.AVTZ_OPTRI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.H2.VDZ-RI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.H2.VTZ_OPTRI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.H2.VTZ-RI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.He.AVDZ_OPTRI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.He.AVDZ-RI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.He.AVTZ_OPTRI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.He.AVTZ-RI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.He.VDZ-RI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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auxbasis.He.VTZ-RI
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.B+.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.B+.VTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Be2.VDZ
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Be.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Be.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Be.AVTZ
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Be.STO-3G
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basis correction
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2019-07-09 16:17:10 +02:00 |
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basis.Be.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Be.VDZ-F12
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Be.VTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.BeO.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.BeO.def2-TZVPP
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.BH.STO-3G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.BN.1.2.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.BN.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.BN.def2-TZVPP
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Bo
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.C2.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.C2.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.CH+.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.F2.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.F2.STO-3G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.0.515.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.1.1.VTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.6-31Gss
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.AVDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.AVQZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.AVTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.STO-3G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.VQZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2.VTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2O.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2O.6-31Gss
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2O.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H2O.VTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H-.AVDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H-.AVQZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H-.AVTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H-.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H-.VQZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.H-.VTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.6-31Gss
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.AVDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.AVTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.V5Z
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.VDZ.VDZ-RI
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.He.VQZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.VTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.He.VTZ.VTZ-RI
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.HeH+.0.16.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.HeH+.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.HF
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Li.VDZ
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.LiF.STO-3G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.LiF.VDZ
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.LiH.0.04.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.LiH.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.LiH.6-31Gss
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.LiH.AVDZ
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.LiH.def2-TZVPP
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.LiH.STO-3G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.LiH.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Mg.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.N2.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.N2.6-31Gss
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.N2.AVDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.N2.STO-3G
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.N2.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Ne.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Ne.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Ne.VQZ
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Ne.VTZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.O2.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.O2.6-31Gss
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.O3-OM.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.O3-RM.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.O3-TS.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.O3.6-31G
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.O3.6-31Gs
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.O3.VDZ
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Sp.Pl0
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Sp.Pl1
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Sp.Pl2
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Sp.Pl3
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Sp.Pl4
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Sp.Pl5
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new examples
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2019-10-06 22:37:51 +02:00 |
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basis.Sph.Ylm0
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm1
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Sph.Ylm2
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Sph.Ylm3
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Sph.Ylm4
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Sph.Ylm5
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removing examples
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2019-03-19 10:18:03 +01:00 |
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basis.Sph.Ylm6
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm7
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm8
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm9
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm10
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm11
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm12
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm13
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm14
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adding files
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2019-05-07 22:57:57 +02:00 |
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basis.Sph.Ylm15
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adding files
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2019-05-07 22:57:57 +02:00 |
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molecule.B+
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.Be
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IntPak read geom fixed
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2019-03-31 22:28:04 +02:00 |
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molecule.Be2
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.BeO
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.BH
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.BN
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.Bo
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.C2
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.CH+
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.CO
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.F2
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.H2
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pp-RPA
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2019-10-06 20:08:38 +02:00 |
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molecule.H2O
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.H-
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.He
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UHF is working
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2019-03-19 11:21:34 +01:00 |
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molecule.HeH+
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.HF
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.Li
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.Li2
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.LiF
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stupid big in qsGW BSE
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2019-09-26 21:36:46 +02:00 |
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molecule.LiH
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pp-RPA
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2019-10-05 23:09:20 +02:00 |
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molecule.Mg
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.N2
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fix bug in evGW for BSE Ec
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2019-10-01 14:53:36 +02:00 |
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molecule.Ne
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UHF is working
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2019-03-19 11:21:34 +01:00 |
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molecule.O2
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.O3
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.O3-OM
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.O3-RM
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.O3-TS
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removing examples
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2019-03-19 10:18:03 +01:00 |
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molecule.Sp_2
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.Sp_8
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.Sp_18
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.Sp_32
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.Sp_50
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.Sp_72
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.Sp_98
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new examples
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2019-10-06 22:37:51 +02:00 |
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molecule.Sph_2
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adding files
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2019-05-07 22:57:57 +02:00 |
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molecule.Sph_8
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adding files
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2019-05-07 22:57:57 +02:00 |
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molecule.Sph_18
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adding files
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2019-05-07 22:57:57 +02:00 |
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molecule.Sph_32
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adding files
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2019-05-07 22:57:57 +02:00 |
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molecule.Sph_50
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adding files
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2019-05-07 22:57:57 +02:00 |
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molecule.Sph_72
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adding files
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2019-05-07 22:57:57 +02:00 |
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molecule.Sph_98
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adding files
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2019-05-07 22:57:57 +02:00 |
