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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-11-15 02:23:39 +01:00
QCaml/Utils
2019-03-03 01:43:04 +01:00
..
Angstrom.ml Documentation 2018-02-24 23:57:38 +01:00
Angstrom.mli Documentation 2018-03-03 22:29:08 +01:00
AngularMomentum.ml Pretty printers 2018-03-15 15:25:49 +01:00
AngularMomentum.mli Documentation and printing 2018-03-16 00:23:47 +01:00
Bohr.ml Documentation 2018-02-24 23:57:38 +01:00
Bohr.mli Documentation and printing 2018-03-16 00:23:47 +01:00
Charge.ml Documentation and printing 2018-03-16 00:23:47 +01:00
Charge.mli Documentation and printing 2018-03-16 00:23:47 +01:00
Command_line.ml Working on parallelism 2019-02-25 14:37:20 +01:00
Constants.ml Davidson works 2019-02-27 14:56:59 +01:00
Constants.mli Davidson works 2019-02-27 14:56:59 +01:00
Coordinate.ml Documentation and printing 2018-03-16 00:23:47 +01:00
Coordinate.mli Documentation and printing 2018-03-16 00:23:47 +01:00
Davidson.ml n_state 2019-02-28 16:08:28 +01:00
DIIS.ml Accelerated RHF 2018-05-31 18:50:34 +02:00
DIIS.mli Minor changes 2019-01-15 15:18:01 +01:00
Electrons.ml Determinant space OK 2019-02-20 19:43:16 +01:00
Electrons.mli Determinant space OK 2019-02-20 19:43:16 +01:00
FourIdxStorage.ml Minor changes 2019-01-15 15:18:01 +01:00
FourIdxStorage.mli Four-idx transformation 2018-07-20 16:10:20 +02:00
math_functions.c Reimplemented arbitrary space 2019-03-03 01:43:04 +01:00
Matrix.ml Davidson with sparse matrix 2019-02-28 12:34:07 +01:00
Matrix.mli Davidson with sparse matrix 2019-02-28 12:34:07 +01:00
NonNegativeFloat.ml Hash table for zkey_array 2018-03-13 18:24:00 +01:00
NonNegativeFloat.mli Added MatrixOnBasis 2018-06-13 19:03:42 +02:00
Point.mli Documentation 2018-02-26 10:43:21 +01:00
Powers.ml Documentation 2018-02-25 00:53:09 +01:00
Powers.mli Documentation 2018-02-25 00:53:09 +01:00
Printing.ml Fixed Farm 2019-03-02 16:48:35 +01:00
Range.ml Cleaned simulation 2019-02-20 18:15:15 +01:00
Range.mli Cleaned simulation 2019-02-20 18:15:15 +01:00
SphericalToCartesian.ml Spherical works 2018-05-30 01:15:45 +02:00
SphericalToCartesian.mli Spherical works 2018-05-30 01:15:45 +02:00
Spin.ml S2 is programmed in CI 2019-02-22 19:19:11 +01:00
Spin.mli S2 is programmed in CI 2019-02-22 19:19:11 +01:00
Util.ml Reimplemented arbitrary space 2019-03-03 01:43:04 +01:00
Util.mli Reimplemented arbitrary space 2019-03-03 01:43:04 +01:00
Vector.ml Improved sparse vectors 2019-02-28 15:50:00 +01:00
Vector.mli Improved sparse vectors 2019-02-28 15:50:00 +01:00
Zkey.ml Nuclei for T2 2018-06-29 16:04:40 +02:00
Zkey.mli Nuclei for T2 2018-06-29 16:04:40 +02:00
Zmap.ml Minimal screening 2018-01-20 01:49:50 +01:00
Zmap.mli Documentation 2018-03-03 22:29:08 +01:00