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fa58b656f8
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Fixed AOs to MOs
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2017-09-11 23:48:52 +02:00 |
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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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703ea08146
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Fixed bug in xyz file
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2017-07-05 12:57:26 +02:00 |
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0d0cc77de1
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XYZError
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2017-05-30 23:27:25 +02:00 |
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21a9b30d2d
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Added Zmatrix module
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2016-09-08 22:40:58 +02:00 |
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d6b970e8a7
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Auto-generation of libint required files
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2016-03-22 13:28:03 +01:00 |
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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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6716a996cd
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Less EZFIO I/O
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2014-10-30 16:26:31 +01:00 |
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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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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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de9ad72f8b
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Bug in molecule creation corrected
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2014-10-24 12:43:23 +02:00 |
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6f745a6e25
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Corrected bugs in ocaml
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2014-10-23 14:42:14 +02:00 |
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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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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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0fb8c3b7ae
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xyz to ezfio works
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2014-09-18 17:01:43 +02:00 |
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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 |
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