|
Basis_lexer.mll
|
Reading both XYZ and Zmatrix
|
2018-01-17 15:56:57 +01:00 |
|
Basis.ml
|
Inserted overlap
|
2018-01-22 23:19:24 +01:00 |
|
Basis.mli
|
Inserted overlap
|
2018-01-22 23:19:24 +01:00 |
|
Contracted_shell.ml
|
Optimization
|
2018-02-02 01:25:10 +01:00 |
|
ERI.ml
|
Fixed ERI
|
2018-02-06 15:49:17 +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
|
All one- and two- electron integrals OK
|
2018-02-06 17:39:14 +01:00 |
|
NucInt.ml
|
Fixed Overlap
|
2018-02-06 16:33:28 +01:00 |
|
OneElectronRR.ml
|
Removed arrays
|
2018-02-06 17:13:25 +01:00 |
|
Overlap_primitives.ml
|
Fixed Overlap
|
2018-02-06 16:33:28 +01:00 |
|
Overlap.ml
|
All one- and two- electron integrals OK
|
2018-02-06 17:39:14 +01:00 |
|
Shell_pair.ml
|
Fixed Overlap
|
2018-02-06 16:33:28 +01:00 |
|
TwoElectronRR.ml
|
Removed arrays
|
2018-02-06 17:13:25 +01:00 |
|
TwoElectronRRVectorized.ml
|
Indentation
|
2018-02-03 19:01:30 +01:00 |
