| .. |
|
basis.Be.6-31+g_star
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.Be.aug-cc-pvdz
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.Be.aug-cc-pvtz
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.Be.cc-pvdz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.Be.cc-pvtz
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.Be.sto-3g
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.BF.cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.BF.cc-pvqz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.BF.cc-pvtz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.Bo
|
removing examples
|
2019-03-19 10:18:03 +01:00 |
|
basis.C2-cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.CO.cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.CO.cc-pvqz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.CO.cc-pvtz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.F2.aug-cc-pvdz
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.F2.cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.F2.cc-pvqz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.F2.cc-pvtz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.H2.cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.H2.cc-pvqz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.H2.cc-pvtz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.HCl.cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.HCl.cc-pvqz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.HCl.cc-pvtz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.He.6-31g
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.He.cc-pvdz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.He.cc-pvtz
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.Hu
|
ppRPA orlando orthogonalization
|
2020-03-07 08:58:50 +01:00 |
|
basis.LiF.cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.LiF.cc-pvqz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.LiF.cc-pvtz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.LiH.aug-cc-pvdz
|
more examples
|
2020-03-17 21:34:59 +01:00 |
|
basis.LiH.cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.LiH.cc-pvqz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.LiH.cc-pvtz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.N2.cc-pvdz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.N2.cc-pvqz
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
|
basis.N2.cc-pvtz
|
examples
|
2020-01-17 17:35:40 +01:00 |
|
basis.Ne.cc-pvtz
|
more examples
|
2020-03-17 21:34:59 +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.BF
|
moar clean up
|
2020-03-13 09:18:18 +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
|
BSE clean up
|
2020-03-11 16:41:20 +01:00 |
|
molecule.F2
|
RVWN5
|
2020-03-15 20:33:18 +01:00 |
|
molecule.H2
|
GF clean up
|
2020-03-19 10:21:18 +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.HCl
|
moar clean up
|
2020-03-13 09:18:18 +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.Hu
|
examples
|
2020-01-17 17:35:40 +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
|
moar clean up
|
2020-03-13 09:18:18 +01:00 |
|
molecule.LiH
|
GF clean up
|
2020-03-19 10:21:18 +01:00 |
|
molecule.N2
|
moar clean up
|
2020-03-13 09:18:18 +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 |
