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mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:42 +01:00
QuAcK/examples
2020-01-17 13:45:02 +01:00
..
basis.Bo 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.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 clean up 2020-01-17 13:45:02 +01:00
molecule.BH clean up 2020-01-17 13:45:02 +01:00
molecule.BN clean up 2020-01-17 13:45:02 +01:00
molecule.C2 clean up 2020-01-17 13:45:02 +01:00
molecule.CO clean up 2020-01-17 13:45:02 +01:00
molecule.F2 G0T0 bug and clean up 2019-10-18 23:16:37 +02:00
molecule.H2 clean up 2020-01-15 22:29:43 +01:00
molecule.H2O clean up 2020-01-17 13:45:02 +01:00
molecule.H- clean up 2020-01-17 13:45:02 +01:00
molecule.He UHF is working 2019-03-19 11:21:34 +01:00
molecule.HeH+ clean up 2020-01-17 13:45:02 +01:00
molecule.HF clean up 2020-01-17 13:45:02 +01:00
molecule.Li new examples 2019-10-06 22:37:51 +02:00
molecule.Li2 clean up 2020-01-17 13:45:02 +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.N2 clean up 2020-01-17 13:45:02 +01:00
molecule.Ne UHF is working 2019-03-19 11:21:34 +01:00
molecule.O2 clean up 2020-01-17 13:45:02 +01:00
molecule.O3 bug 2019-10-28 16:34:09 +01:00
molecule.O3-OM clean up 2020-01-17 13:45:02 +01:00
molecule.O3-RM clean up 2020-01-17 13:45:02 +01:00
molecule.O3-TS clean up 2020-01-17 13:45:02 +01:00
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