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Basis_lexer.mll
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Reading both XYZ and Zmatrix
|
2018-01-17 15:56:57 +01:00 |
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Basis.ml
|
ERI tested with QP -> OK
|
2018-01-19 17:45:55 +01:00 |
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Basis.mli
|
Optimized ERIs
|
2018-01-19 03:14:06 +01:00 |
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Contracted_shell.ml
|
Optimized Zkey
|
2018-01-20 12:10:32 +01:00 |
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ERI.ml
|
Cleaning
|
2018-01-19 23:31:10 +01:00 |
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Gamess_parser.mly
|
Optimized ERIs
|
2018-01-19 03:14:06 +01:00 |
|
Gamess_reader.ml
|
Optimized ERIs
|
2018-01-19 03:14:06 +01:00 |
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General_basis.ml
|
Optimized ERIs
|
2018-01-19 03:14:06 +01:00 |
|
OneElectronRR.ml
|
Working on 1e integrals
|
2018-01-22 15:27:41 +01:00 |
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Shell_pair.ml
|
Changed float array to tuple in Coordinate
|
2018-01-19 18:11:03 +01:00 |
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TwoElectronRR.ml
|
Working on 1e integrals
|
2018-01-22 15:27:41 +01:00 |
