|
Basis_lexer.mll
|
Reading both XYZ and Zmatrix
|
2018-01-17 15:56:57 +01:00 |
|
Basis.ml
|
ERI tested with QP -> OK
|
2018-01-19 17:45:55 +01:00 |
|
Basis.mli
|
Optimized ERIs
|
2018-01-19 03:14:06 +01:00 |
|
Contracted_shell.ml
|
Cleaning
|
2018-01-19 18:18:11 +01:00 |
|
ERI.ml
|
Cleaning
|
2018-01-19 23:31:10 +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 |
|
Shell_pair.ml
|
Changed float array to tuple in Coordinate
|
2018-01-19 18:11:03 +01:00 |
|
TwoElectronRR.ml
|
Minimal screening
|
2018-01-20 01:49:50 +01:00 |
