Anthony Scemama 0455da3b46 Nuclear repulsion

2018-02-20 23:54:48 +01:00

..

Basis_lexer.mll

Reading both XYZ and Zmatrix

2018-01-17 15:56:57 +01:00

Basis.ml

private type

2018-02-13 13:55:16 +01:00

Basis.mli

Introduces Simulation

2018-02-09 00:37:25 +01:00

Contracted_shell_type.ml

A lot of cleaning

2018-02-13 17:36:25 +01:00

Contracted_shell_type.mli

A lot of cleaning

2018-02-13 17:36:25 +01:00

Contracted_shell.ml

A lot of cleaning

2018-02-13 17:36:25 +01:00

Contracted_shell.mli

private type

2018-02-13 13:55:16 +01:00

ContractedShellPair.ml

Accelerated scalar RR

2018-02-12 00:02:12 +01:00

ERI_parallel.ml

Clean

2018-02-14 18:08:43 +01:00

ERI.ml

Working {x;y;z;tot}

2018-02-19 17:32:44 +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 {x;y;z;tot}

2018-02-19 17:32:44 +01:00

NucInt.ml

Working {x;y;z;tot}

2018-02-19 17:32:44 +01:00

OneElectronRR.ml

Working {x;y;z;tot}

2018-02-19 17:32:44 +01:00

Overlap_primitives.ml

Fixed Overlap

2018-02-06 16:33:28 +01:00

Overlap.ml

Working {x;y;z;tot}

2018-02-19 17:32:44 +01:00

ShellPair.ml

Optimizations

2018-02-10 03:37:00 +01:00

TwoElectronRR.ml

Nuclear repulsion

2018-02-20 23:54:48 +01:00

TwoElectronRRVectorized.ml

Nuclear repulsion

2018-02-20 23:54:48 +01:00