Anthony Scemama scemama
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scemama synced commits to master at LCPQ/quack from mirror 2020-06-06 10:58:10 +02:00
d473dd79fa BSE2
scemama synced commits to master at LCPQ/quack from mirror 2020-06-06 02:48:10 +02:00
769f4e9221 (1)
scemama pushed to master at PTEROSOR/DMP-PTEROSOR 2020-06-05 20:13:37 +02:00
b3515117a1 Quack OK, QP in progress
scemama created repository PTEROSOR/DMP-PTEROSOR 2020-06-05 20:12:02 +02:00
scemama synced new reference add-license-1 to LCPQ/quack from mirror 2020-06-05 02:18:10 +02:00
scemama synced commits to master at LCPQ/quack from mirror 2020-06-05 02:18:10 +02:00
bf7f441d4d RCC
bd6684e876 Merge branch 'master' of github.com:pfloos/quack
986caedeac clean dBSE code
15f65c7010 Merge pull request #2 from pfloos/add-license-1
e88df333cf Create LICENSE
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scemama synced commits to master at LCPQ/eplf from mirror 2020-06-04 01:18:10 +02:00
4f15626893 Fix README:
scemama synced commits to master at scemama/qp_plugins_scemama from mirror 2020-03-24 10:55:56 +01:00
e0e053b72f ne - en
01c8a13f1a Merge branch 'master' of https://gitlab.com/scemama/qp_plugins_scemama
68af2e6886 en - ne
8091a86042 Merge branch 'master' of https://gitlab.com/scemama/qp_plugins_scemama
70336a8e2d Unique integrals
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scemama synced commits to master at scemama/qp_plugins_scemama from mirror 2020-03-23 18:35:57 +01:00
5e6654cb9a Export
aacc3057c8 Added export_integrals
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scemama synced commits to master at scemama/qp_plugins_scemama from mirror 2020-03-10 12:22:38 +01:00
8b93b4b1f8 map_unique
4a9ced7303 Added bounds check
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scemama synced commits to master at scemama/qp_plugins_scemama from mirror 2020-03-04 16:44:21 +01:00
4ddec11676 Fixing import_integrals_mo
4cea5b32c9 Renaming
2f82733825 Documentation and import MO integrals
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scemama transferred repository scemama/resultsFile to LCPQ/resultsFile 2019-10-15 16:25:23 +02:00
scemama transferred repository scemama/EZFIO to LCPQ/EZFIO 2019-10-15 16:25:01 +02:00
scemama transferred repository scemama/irpf90 to LCPQ/irpf90 2019-10-15 16:24:40 +02:00
scemama transferred repository scemama/qmcchem to LCPQ/qmcchem 2019-10-15 16:22:39 +02:00
scemama transferred repository scemama/QCaml to LCPQ/QCaml 2019-10-15 16:20:59 +02:00
scemama transferred repository scemama/qp2 to LCPQ/qp2 2019-10-15 16:20:01 +02:00
scemama synced commits to dev-lcpq at LCPQ/qp2 from mirror 2019-10-10 16:19:23 +02:00
95a321cf95 Removed save_wf after selection
3ee9179ac4 Fixed small bugs
9e81453577 Merge branch 'casscf' into dev-lcpq
4cc97c51e8 Merge branch 'master' into casscf
2d61610022 Biblio (#64)
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scemama synced commits to master at LCPQ/QCaml from mirror 2019-10-10 02:39:24 +02:00
dd98ac29fc FCIF12 OK
scemama synced commits to master at LCPQ/QCaml from mirror 2019-10-03 23:42:50 +02:00
8b49ac8f77 Dressed integrals in F12