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a68f3bb909
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Fixed travis
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2018-01-05 18:15:34 +01:00 |
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79f6285472
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Fixed nuclei.irp.f
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2018-01-05 14:39:19 +00:00 |
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b88a0eac78
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Removed output variables
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2018-01-05 14:38:32 +00:00 |
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792288600d
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Minor changes
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2018-01-05 15:31:08 +01:00 |
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d031148512
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Fix MPI
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2017-12-19 11:54:20 +01:00 |
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17e0518410
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Revert input coordinates
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2017-12-19 11:49:48 +01:00 |
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ac37a499d3
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Removed debug print
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2017-12-19 10:07:13 +01:00 |
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28afcc8c59
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Fixes #211
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2017-12-19 09:59:46 +01:00 |
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816e70a683
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Added symmetry detection
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2017-12-14 19:03:51 +01:00 |
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2dea5ea1af
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Indentation
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2017-11-29 13:56:48 +01:00 |
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c476aa1159
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MPI with I/O
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2017-11-28 14:20:17 +01:00 |
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1a5a4d5ff2
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Introduced MPI for EZFIO accesses
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2017-11-28 01:05:28 +01:00 |
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12295ce7c0
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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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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1d6593a288
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pedantic changes
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2017-04-12 19:29:21 +02:00 |
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767906a051
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Localized MOs
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2017-03-20 12:11:54 +01:00 |
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4b6d2f0d03
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Added more elements to print_mo
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2017-01-13 13:15:51 +01:00 |
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Thomas Applencourt
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9dc586364d
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Remove file
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2015-06-23 18:00:03 +02:00 |
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5c957cf1f2
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Merged eginer-master
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2015-03-19 21:14:52 +01:00 |
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Manu
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0242bf9303
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Molden interface
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2015-01-07 16:52:58 +01:00 |
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f79d6dd622
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Optimized provides in if statements
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2014-10-15 15:19:34 +02:00 |
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b02cfe8dc3
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CISD OK
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2014-05-13 13:57:58 +02:00 |
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585eb90a77
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rst format in output directory
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2014-04-11 01:53:15 +02:00 |
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6c29d22aa2
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Added Utils, Electrons, Ezfio, Nuclei, include, AOs.
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2014-04-01 18:38:51 +02:00 |
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