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241cd67613
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Makefile OK for notebooks
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2019-11-30 10:41:07 +01:00 |
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61c380f31e
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Added Command_line module
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2019-02-25 14:36:59 +01:00 |
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a194a1d61f
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Choosing MPI or not at configuration
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2019-01-15 15:17:34 +01:00 |
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408b7692a6
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Initiated parallel
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2018-10-16 00:27:58 +02:00 |
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9ff27d2639
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Added sign in determinants
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2018-07-20 19:02:56 +02:00 |
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125e5dac4c
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Introduced Alcotest
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2018-07-04 20:24:57 +02:00 |
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e4a3e1da97
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Fixed overflow in Boys function
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2018-06-27 13:13:59 +02:00 |
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7c7e79285a
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Parallel integrals with Parmap and Zmq
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2018-06-01 14:34:28 +02:00 |
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17c9aef254
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Opam package
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2018-03-28 01:50:19 +02:00 |
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209dadb633
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Documentation
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2018-03-06 00:47:33 +01:00 |
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730f6a9e3f
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Introduces Simulation
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2018-02-09 00:37:25 +01:00 |
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b4ab7c39bd
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Store ERI in a genarray
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2018-02-02 10:10:05 +01:00 |
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49c503fa55
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Optimization
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2018-02-02 01:25:10 +01:00 |
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fb8fff6ee1
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Optimization
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2018-02-02 00:04:35 +01:00 |
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daf96d567b
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Erf
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2018-02-01 22:19:23 +01:00 |
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dad44067f7
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Reading both XYZ and Zmatrix
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2018-01-17 15:56:57 +01:00 |
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e909bb9abb
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Added many files for nuclei
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2018-01-02 22:33:17 +01:00 |
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2971dd0deb
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Lexer/Parser for basis sets
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2017-12-30 19:06:07 +01:00 |
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