 Anthony Scemama
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8523096a90
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Modified for ocaml 4.04
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2017-08-18 18:28:33 +02:00 |
TApplencourt
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414aa32463
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Add Read / Write for Nuclear Repulsion (usefull for PBC)
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2017-05-08 16:27:29 +00:00 |
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Thomas Applencourt
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2090015c61
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Merge pull request #10 from TApplencourt/master
Merge with master
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2015-04-21 18:00:32 +02:00 |
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Thomas Applencourt
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3b59fca0c7
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Add EZFIO.cfg in determinants
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2015-04-20 15:20:38 +02:00 |
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Thomas Applencourt
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e5c2d5ee65
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add michel routine
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2015-04-03 13:34:27 +02:00 |
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Thomas Applencourt
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11c0013992
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Autobuild qp_edit.ml
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2015-04-02 14:46:24 +02:00 |
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Thomas Applencourt
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2c0480fcd8
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Ocaml generator need l_ezfio_name and not l_provider
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2015-03-31 11:14:45 +02:00 |
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Thomas Applencourt
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951a4e35e0
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CISD (SC)^2 into CISD (SC)^2 SELECTED cause is the name of the module
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2015-03-31 09:33:16 +02:00 |
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Thomas Applencourt
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e9665c276c
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Add cisd_sc2_selected to qp_edit
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2015-03-30 17:56:17 +02:00 |
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Anthony Scemama
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42dacb1405
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Removed input_cis.ml
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2015-01-19 16:41:21 +01:00 |
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Anthony Scemama
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8531d9c9a1
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Added Input_nuclei.ml
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2014-10-24 00:42:07 +02:00 |
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Anthony Scemama
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708698018d
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Added Input_mo_basis.ml
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2014-10-24 00:25:15 +02:00 |
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Anthony Scemama
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abb8967d63
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Added Input_hartree_fock.ml
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2014-10-22 00:12:23 +02:00 |
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Anthony Scemama
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ede29e4284
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Added Input_full_ci.ml
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2014-10-21 23:32:47 +02:00 |
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Anthony Scemama
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64022d88d7
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Added Input_electrons.ml
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2014-10-21 23:23:37 +02:00 |
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Anthony Scemama
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c1cbf80080
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Input_cisd_sc2.ml
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2014-10-21 22:18:57 +02:00 |
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Anthony Scemama
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7f76f8e2c6
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Added Input_determinants.ml
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2014-10-20 12:19:12 +02:00 |
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Anthony Scemama
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b07365c52f
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Added Input_cis.ml
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2014-10-18 23:18:54 +02:00 |
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Anthony Scemama
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161e54ad15
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Working on ocaml input
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2014-10-18 00:10:25 +02:00 |
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Anthony Scemama
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844553e9e2
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Added bielec_integrals input in ocaml
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2014-10-17 22:25:45 +02:00 |
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Anthony Scemama
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fea8dfd891
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Updated save_for_qmcchem (mo_classif)
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2014-10-17 15:07:07 +02:00 |