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2d20035e02
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Update read integrals
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2022-12-07 09:53:26 +01:00 |
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d8b80f4b55
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Fix trexio->QP converter
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2022-12-05 17:47:27 +01:00 |
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ec1a0e8af4
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Removed LIB
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2022-11-30 17:38:02 +01:00 |
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c379376737
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Commented MO energies
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2022-11-30 17:36:02 +01:00 |
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aa745a2b57
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Removed trexio_f.f90
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2022-11-30 17:34:32 +01:00 |
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AbdAmmar
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29803d77ae
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save_for_qmcchem ok
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2022-10-04 14:25:43 +02:00 |
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AbdAmmar
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7cf48160e6
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dressing multi states
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2022-09-07 14:55:34 +02:00 |
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Abdallah Ammar
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5905fc563c
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dmc SVD param
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2022-08-01 12:06:37 +02:00 |
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61da8b1880
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Fixed uninstall
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2022-07-01 11:22:46 +02:00 |
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beb5150885
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Update trexio_f.f90
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2022-06-28 10:07:04 +02:00 |
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Anthony Scemama
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7dd95fdc43
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Add LICENSE
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2022-06-23 12:42:44 +00:00 |
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cf60101851
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Update trexio files
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2022-06-17 19:04:09 +02:00 |
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e1da425522
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Added install/uninstall scripts
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2022-06-17 16:17:47 +02:00 |
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9e9caf4037
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Fix TREXIO
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2022-05-25 15:24:19 +02:00 |
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50d842bfa7
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Merge branch 'master' of gitlab.com:scemama/qp_plugins_scemama
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2022-05-25 14:59:33 +02:00 |
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bb3b69e62b
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Minor changes
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2022-05-25 14:58:35 +02:00 |
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63f93db584
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Improve trexio module
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2022-05-05 13:26:51 +02:00 |
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9745795b3d
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Import WF from TREXIO
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2022-04-27 16:06:56 +02:00 |
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fcce80d899
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Export determinants in TREXIO
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2022-04-27 15:16:08 +02:00 |
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04f6220317
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Update trexio module
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2022-04-11 23:05:24 +02:00 |
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d8a7caf967
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Fixed #1
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2022-04-11 23:03:50 +02:00 |
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cf7e20ff0b
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Initial tests
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2022-03-11 15:49:43 +01:00 |
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c77ac2598f
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Dressing with HTC
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2022-02-04 12:07:03 +01:00 |
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44ef244fc0
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Merge branch 'master' of gitlab.com:scemama/qp_plugins_scemama
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2022-01-10 13:19:25 +01:00 |
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a11bbf629d
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Fix pseudos
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2022-01-10 13:19:22 +01:00 |
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ae30d07000
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Fix bug with trexio hdf5
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2022-01-10 10:42:35 +01:00 |
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5761cc4e30
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Fixed pseudos in trexio
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2022-01-03 10:26:55 +01:00 |
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d9237ab271
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Fix ECP part
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2022-01-03 02:10:16 +01:00 |
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e789983821
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Import trexio
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2022-01-03 01:20:16 +01:00 |
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f87df2b4e9
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Import trexio
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2021-12-30 14:42:50 +01:00 |
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a3d0f2f921
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Merge branch 'master' of gitlab.com:scemama/qp_plugins_scemama
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2021-12-17 19:28:48 +01:00 |
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ee3c6e080c
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Modernization
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2021-12-17 19:28:01 +01:00 |
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e485e512f7
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Update trexio plugin
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2021-12-10 18:42:49 +01:00 |
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dbc66c0c55
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Storing ERI
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2021-12-08 11:09:54 +01:00 |
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427f0569a6
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Update for TREXIOv2
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2021-12-07 19:30:23 +01:00 |
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114d4a695c
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Fixed bug
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2021-12-03 17:39:10 +01:00 |
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f918fcf13e
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Fixed bug in det-csf provider
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2021-12-03 15:30:07 +01:00 |
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4d380c9948
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File name
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2021-12-03 15:20:59 +01:00 |
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8eef226634
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Det-CSF conversion
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2021-12-03 14:48:52 +01:00 |
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Abdallah Ammar
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7b442c5341
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svdwf with tc
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2021-11-02 16:18:07 +01:00 |
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8094f81c72
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Merge branch 'master' of gitlab.com:scemama/qp_plugins_scemama
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2021-10-12 16:00:32 +02:00 |
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be17a1cc0d
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Fix trexio
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2021-10-12 16:00:27 +02:00 |
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7caaa775f3
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Minor changes
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2021-09-07 18:46:34 +02:00 |
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568252c506
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Merge branch 'master' of gitlab.com:scemama/qp_plugins_scemama
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2021-08-24 15:14:46 +02:00 |
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b7fcc7f9c3
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Fixed normalization in trexio
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2021-08-24 15:14:29 +02:00 |
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Abdallah Ammar
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43393ddc97
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dress SVD
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2021-07-31 14:26:26 +02:00 |
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Abdallah Ammar
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7a031b3356
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post QMC py
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2021-07-31 14:07:03 +02:00 |
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Abdallah Ammar
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3d4d3824f9
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Merge branch 'master' of gitlab.com:AbdAmmar/qp_plugins_scemama
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2021-07-31 11:16:58 +02:00 |
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Abdallah Ammar
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232b8bdb70
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Merge branch 'master' into 'master'
Dressing works
See merge request AbdAmmar/qp_plugins_scemama!1
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2021-07-31 09:10:27 +00:00 |
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Abdallah Ammar
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46aadac71c
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Merge branch 'master' into 'master'
# Conflicts:
# devel/svdwf/Evar_TruncSVD.irp.f
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2021-07-31 09:07:58 +00:00 |
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