Anthony Scemama
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7ebc2ac896
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Fixed last merge (#217)
* Fixes #211
* Removed debug print
* Revert input coordinates
* Fix MPI
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2017-12-19 13:48:21 +01:00 |
 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 |
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Thomas Applencourt
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94893acab6
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Add Pt in Element.ml
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2017-07-17 08:33:26 -05:00 |
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Anthony Scemama
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1157e22fab
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Periodic table up to Xe
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2016-07-04 18:25:22 +02:00 |
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Anthony Scemama
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d56c9dcb0f
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Option to add automatically dummy basis functions
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2015-11-17 22:25:26 +01:00 |
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Anthony Scemama
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3fd80125e4
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Added lots of mli files for better error messages
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2014-10-26 17:35:39 +01:00 |
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Anthony Scemama
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0a9de3c23a
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Added s-expressions (sexplib)
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2014-10-25 21:24:21 +02:00 |
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Anthony Scemama
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c1d8e6d29a
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Corrected bug when reading basis set
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2014-10-09 12:26:17 +02:00 |
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Anthony Scemama
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e7b81a11de
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Added qp_print.ml
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2014-10-07 19:33:11 +02:00 |
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Anthony Scemama
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5deb211473
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Renaming of ocaml modules with capital letters
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2014-09-16 23:17:22 +02:00 |