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Commit Graph

23 Commits

Author SHA1 Message Date
389db7b4cb Fixed max memory detection 2022-06-10 12:11:08 +02:00
727815751c DGEMM four-index transformation
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continuous-integration/drone/push Build is failing
2022-05-25 19:35:53 +02:00
Emmanuel Giner
bb5becf120 removed stupid assert 2021-11-05 15:17:39 +01:00
Emmanuel Giner
e7042e65c7 added old version of no_vvvv which works 2021-07-01 11:25:51 +02:00
369090995b Reactivated banned excitations 2021-06-20 00:00:09 +02:00
b1806d517d Deactivated banned excitations 2021-06-18 12:47:27 +02:00
v1j4y
13154e765b Working on fixing bugs. #143. 2021-02-10 23:12:04 +01:00
4654843146 Added h_core_ri 2021-02-09 12:16:20 +01:00
1e3e94a33c Removed dependency of AO1 on AO2 2021-02-09 12:02:14 +01:00
7fa1637b91 Changed banned 2021-01-24 23:09:37 +01:00
0c3c5fd926 Davidson optimization 2021-01-21 10:52:33 +01:00
da5768f5fe Fixed tests 2020-11-11 19:13:04 +01:00
e838868181 Fixed Schwartz and added banned-excitations 2020-09-25 15:14:56 +02:00
4ccb17a5dd Cleaned mo_get for multiple integrals 2020-05-28 11:57:12 +02:00
51fda32648
Merge pull request #107 from QuantumPackage/cleaning_dft
Cleaning dft
2020-05-15 11:15:40 +02:00
329bcf805b Fixed schwartz screening when integrals are read 2020-05-12 22:48:37 +02:00
Emmanuel Giner
e864eb1cf3 added the possibility to use no_vvvv integrals from EZFIO 2020-05-11 16:04:16 +02:00
35f7b26ec5 Fixed bug in get_d0 2019-10-29 12:15:20 +01:00
7237e885c3 Removed debbuging code 2019-10-29 01:26:34 +01:00
b7fc1b94a6 Fixed bug in singles 2019-10-29 01:22:42 +01:00
a744bc30d4 Fast 4-idx transformation 2019-07-05 23:54:08 +02:00
0336738109 Working on fast integrals 2019-07-05 18:50:22 +02:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00