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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-22 20:33:36 +01:00
QCaml/Utils
2019-02-18 19:45:41 +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
Constants.ml Printing of HF MOs 2018-05-30 20:16:18 +02:00
Constants.mli Printing of HF MOs 2018-05-30 20:16:18 +02:00
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
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 Documentation 2018-03-03 22:13:14 +01:00
Electrons.mli Documentation 2018-03-06 18:25:54 +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 gamma function from libm 2018-02-01 22:39:23 +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
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 Single/Double excitation operators 2019-02-18 12:41:54 +01:00
Spin.mli Single/Double excitation operators 2019-02-18 12:41:54 +01:00
Util.ml Double excitations 2019-02-18 19:45:41 +01:00
Util.mli Double excitations 2019-02-18 19:45:41 +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