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Code Releases Activity
QCaml/Basis
History
Anthony Scemama eeb4f9f52c Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
..
Basis_lexer.mll
Reading both XYZ and Zmatrix
2018-01-17 15:56:57 +01:00
Basis.ml
Documentation
2018-02-06 18:12:19 +01:00
Basis.mli
Documentation
2018-02-06 18:12:19 +01:00
Contracted_shell.ml
Documentation
2018-02-06 18:12:19 +01:00
Contracted_shell.mli
Introducing unique shell pairs
2018-02-07 13:33:25 +01:00
ContractedShellPair.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
ERI.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
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
General_basis.ml
Optimized ERIs
2018-01-19 03:14:06 +01:00
KinInt.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
NucInt.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
OneElectronRR.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
Overlap_primitives.ml
Fixed Overlap
2018-02-06 16:33:28 +01:00
Overlap.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
ShellPair.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
TwoElectronRR.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00
TwoElectronRRVectorized.ml
Introducing contracted shell pairs
2018-02-07 17:07:05 +01:00