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Commit Graph

15 Commits

Author SHA1 Message Date
Abdallah Ammar
d919d6ce7d forked v 2022-07-05 01:17:43 +02:00
f4512851bf provder for Ha to eV 2022-05-19 10:42:29 +02:00
62dbf11942 update au to eV 2022-05-19 10:28:05 +02:00
511a80e062 add excitation energies in eV 2022-03-28 20:08:35 +02:00
691d8957dc Changed ci_threshold into save_threshold 2021-11-26 12:50:26 +01:00
fbfcc98f41 Added save_wavefunction_truncated(ci_threshold) 2021-11-25 14:46:20 +01:00
da5768f5fe Fixed tests 2020-11-11 19:13:04 +01:00
50bc1b0d3c Set zeros in CIS wave functions 2020-11-11 01:27:33 +01:00
79f47d024b First python3 3 working installation 2020-03-17 18:02:29 +01:00
fa258a9bf0 Merge localhost:qp2 into dev 2020-03-06 13:57:08 +01:00
a812993d8c Fixed tests 2020-02-05 11:48:44 +01:00
Emmanuel Giner LCT
40239f100c Merge alors 2019-10-24 13:56:53 +02:00
eginer
4fd5c4b75b added check_sym 2019-04-26 17:32:52 +02:00
f4bff28cd1 Warnings in documentation 2019-01-29 17:09:08 +01:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00