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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-28 08:02:33 +02:00
Commit Graph

21 Commits

Author SHA1 Message Date
Kevin Gasperich
9f5a5a9246 Merge remote-tracking branch 'origin/dev' into features_kpts 2020-08-07 16:53:22 -05:00
b97a6004d3 Update cache for travis 2020-08-07 19:32:36 +02:00
Kevin Gasperich
75dbda613a cleaner k-point orbital indexing 2020-07-13 10:52:09 -05:00
Kevin Gasperich
cea311077c more information printed in case of error 2020-04-03 10:24:06 -05:00
Kevin Gasperich
9fa523fe66 fixed kpts cipsi 2020-03-26 11:30:15 -05:00
Kevin Gasperich
e638a640f0 problem with 1rdm kpts 2020-03-24 16:43:04 -05:00
Kevin Gasperich
8e615f6788 fixed complex/real bug 2020-03-16 11:38:19 -05:00
Kevin Gasperich
7145a7d916 fixed wrong types 2020-03-06 09:00:30 -06:00
Kevin Gasperich
ed5a9fa404 finished complex slater rules 2020-02-24 15:02:05 -06:00
Kevin Gasperich
a2b662d795 i_h_j_single_spin_complex 2020-02-24 14:54:48 -06:00
Kevin Gasperich
7d55f314a4 i_h_psi_minilist_complex 2020-02-24 14:53:22 -06:00
Kevin Gasperich
6584bd46db i_h_psi_complex 2020-02-24 14:50:06 -06:00
Kevin Gasperich
c2e1301f27 fixed orbital ordering for complex 2020-02-24 14:43:01 -06:00
Kevin Gasperich
1fc25159a0 complex slater rules 2020-02-24 08:12:31 -06:00
Kevin Gasperich
6d12abf088 working on complex determinants 2020-02-21 15:54:48 -06:00
Kevin Gasperich
bcf824cc18 providers for diag one elec mo ints 2020-02-20 15:22:03 -06:00
eginer
0b3c2804a2 added check_sym 2019-04-26 17:31:15 +02:00
60255980e9 Mono -> Single 2019-02-04 23:51:09 +01:00
acab743773 Distributed only when Ndet > 100 000 2019-02-04 18:21:21 +01:00
df3a4fce2b Optimized communications 2019-02-04 13:20:24 +01:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00