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basis.Be.6-31+g_star
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.Be.aug-cc-pvdz
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.Be.aug-cc-pvtz
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.Be.cc-pvdz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.Be.cc-pvtz
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.Be.sto-3g
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.BF.cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.BF.cc-pvqz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.BF.cc-pvtz
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examples
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2020-01-17 17:35:40 +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-cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.CO.cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.CO.cc-pvqz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.CO.cc-pvtz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.F2.aug-cc-pvdz
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.F2.cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.F2.cc-pvqz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.F2.cc-pvtz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.H2.cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.H2.cc-pvqz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.H2.cc-pvtz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.HCl.cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.HCl.cc-pvqz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.HCl.cc-pvtz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.He.6-31g
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.He.cc-pvdz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.He.cc-pvtz
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.Hu
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ppRPA orlando orthogonalization
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2020-03-07 08:58:50 +01:00 |
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basis.LiF.cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.LiF.cc-pvqz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.LiF.cc-pvtz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.LiH.aug-cc-pvdz
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more examples
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2020-03-17 21:34:59 +01:00 |
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basis.LiH.cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.LiH.cc-pvqz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.LiH.cc-pvtz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.N2.cc-pvdz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.N2.cc-pvqz
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QP solutions
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2020-02-12 12:25:24 +01:00 |
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basis.N2.cc-pvtz
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examples
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2020-01-17 17:35:40 +01:00 |
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basis.Ne.cc-pvtz
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more examples
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2020-03-17 21:34:59 +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.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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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.BF
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moar clean up
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2020-03-13 09:18:18 +01:00 |
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molecule.BH
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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.BN
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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.C2
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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.CO
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BSE clean up
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2020-03-11 16:41:20 +01:00 |
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molecule.F2
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RVWN5
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2020-03-15 20:33:18 +01:00 |
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molecule.H2
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moved Cx in parameters
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2020-03-18 16:06:29 +01:00 |
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molecule.H2O
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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.H-
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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.HCl
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moar clean up
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2020-03-13 09:18:18 +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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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.HF
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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.Hu
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examples
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2020-01-17 17:35:40 +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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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.LiF
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moar clean up
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2020-03-13 09:18:18 +01:00 |
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molecule.LiH
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revive eDFT code
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2020-03-14 23:00:44 +01:00 |
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molecule.N2
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moar clean up
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2020-03-13 09:18:18 +01:00 |
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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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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.O3
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bug
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2019-10-28 16:34:09 +01:00 |
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molecule.O3-OM
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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.O3-RM
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clean up
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2020-01-17 13:45:02 +01:00 |
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molecule.O3-TS
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clean up
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2020-01-17 13:45:02 +01:00 |
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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 |
