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Basis_lexer.mll
|
Reading both XYZ and Zmatrix
|
2018-01-17 15:56:57 +01:00 |
|
Basis.ml
|
Introduces Simulation
|
2018-02-09 00:37:25 +01:00 |
|
Basis.mli
|
Introduces Simulation
|
2018-02-09 00:37:25 +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
|
Optimizations
|
2018-02-10 03:37:00 +01:00 |
|
ERI.ml
|
Optimizations
|
2018-02-10 03:37:00 +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
|
Working on contraction
|
2018-02-09 20:18:53 +01:00 |
|
NucInt.ml
|
Introduces Simulation
|
2018-02-09 00:37:25 +01:00 |
|
OneElectronRR.ml
|
Working on contraction
|
2018-02-09 20:18:53 +01:00 |
|
Overlap_primitives.ml
|
Fixed Overlap
|
2018-02-06 16:33:28 +01:00 |
|
Overlap.ml
|
Working on contraction
|
2018-02-09 20:18:53 +01:00 |
|
ShellPair.ml
|
Optimizations
|
2018-02-10 03:37:00 +01:00 |
|
TwoElectronRR.ml
|
Optimizations
|
2018-02-10 03:37:00 +01:00 |
|
TwoElectronRRVectorized.ml
|
Less allocations
|
2018-02-10 23:31:37 +01:00 |
