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LCPQ
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QCaml
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https://gitlab.com/scemama/QCaml.git
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QCaml
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.merlin
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Nuclear repulsion
2018-02-20 23:54:48 +01:00
PKG str unix bigarray lacaml
S .
Introduced Alcotest
2018-07-04 20:24:51 +02:00
S Test
Nuclear repulsion
2018-02-20 23:54:48 +01:00
S Nuclei
Introduced AOBasis
2018-06-13 17:49:58 +02:00
S CI
Nuclear repulsion
2018-02-20 23:54:48 +01:00
S Utils
S Basis
Working on DIIS
2018-05-31 16:46:45 +02:00
S SCF
Introduced AOBasis
2018-06-13 17:49:58 +02:00
S MOBasis
Added sign in determinants
2018-07-20 19:02:56 +02:00
S CI
Nuclear repulsion
2018-02-20 23:54:48 +01:00
B _build/**