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9927328138
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Changed dummy into ghost
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2024-02-28 18:15:25 +01:00 |
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46e3faed3c
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allow no basis set
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2023-05-10 15:05:18 +02:00 |
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ddf2035d2b
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OCaml code modernization
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2023-02-06 16:32:23 +01:00 |
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2a98378fca
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Fix basis bugs when working on trexio
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2021-12-30 14:43:14 +01:00 |
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b2cb796d90
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Removed debug prints
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2021-12-10 18:43:05 +01:00 |
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13eee57e67
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Update for TREXIOv2
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2021-12-07 19:30:32 +01:00 |
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0bf0513fb1
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Added VERSION file
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2021-06-11 14:18:23 +02:00 |
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63d407e4d2
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Normalization in basis
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2021-06-01 19:46:15 +02:00 |
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1685e41258
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Added basis module for easy export
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2021-05-21 18:26:50 +02:00 |
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68b33e4b35
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Changed Symmetry into Angmom in OCaml
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2021-05-21 16:42:48 +02:00 |
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75891f14b7
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Linear dependencies cutoff
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2020-05-25 11:31:28 +02:00 |
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ad8adda841
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Documentation in configure
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2020-02-04 19:04:36 +01:00 |
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4dde03bf38
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Allow negative charges in qp_create_ezfio
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2019-11-26 14:27:48 +01:00 |
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09eab3db06
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Removed core
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2019-03-13 15:49:57 +01:00 |
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da3ba4ef4b
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Removed Core from qp_create_ezfio.ml
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2019-03-13 11:35:21 +01:00 |
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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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