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Commit Graph

11 Commits

Author SHA1 Message Date
Emmanuel Giner
cbb8d4aa6d added the possibility to have a pure active space interaction 2021-09-13 14:38:00 +02:00
bpradines
d6d8b0586c added basis_correction/print_su_pbe_ot.irp.f 2021-02-26 10:18:42 +01:00
bpradines
e5da77577f removed stupid dependency on the AO integrals in basis_correction 2021-01-14 11:05:03 +01:00
Emmanuel Giner
aa0c44959c removed stupid dependency in basis_set_correction 2020-11-09 18:30:10 +01:00
Emmanuel Giner
ee267e27e9 minor modifs 2020-09-21 15:38:26 +02:00
Emmanuel Giner LCT
346ea702c4 minor modifs on basis correction 2020-05-19 11:46:29 +02:00
Emmanuel Giner
bef6175ee4 minor modifs 2020-04-15 17:00:15 +02:00
Emmanuel Giner
e061ab18d9 added some functions in on_top_from_ueg.irp.f 2020-04-14 17:45:01 +02:00
Emmanuel Giner
316bc009c1 renaming done for dft 2020-04-07 12:25:00 +02:00
Emmanuel Giner
2fc294cd56 properly added basis_correction 2020-04-07 11:03:19 +02:00
Emmanuel Giner
c4ded9dcfb added basis correction and test 2020-04-06 15:06:16 +02:00