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Code Releases Activity
QCaml/Utils
History
Anthony Scemama 61ba79ee59 Added three-e contrbutions
2019-11-04 23:51:47 +01:00
..
AngularMomentum.ml
[@tailcall] statements
2019-09-10 18:39:14 +02:00
AngularMomentum.mli
Documentation and printing
2018-03-16 00:23:47 +01:00
Bitstring.ml
[@tailcall] statements
2019-09-10 18:39:14 +02:00
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
Cholesky.ml
[@tailcall] statements
2019-09-10 18:39:14 +02:00
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
Introduced phantom types for Bohr/Angstrom
2019-06-18 14:29:57 +02:00
Coordinate.mli
Introduced phantom types for Bohr/Angstrom
2019-06-18 14:29:57 +02:00
Davidson.ml
[@tailcall] statements
2019-09-10 18:39:14 +02:00
DIIS.ml
[@tailcall] statements
2019-09-10 18:39:14 +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
Added three-e contrbutions
2019-11-04 23:51:47 +01:00
FourIdxStorage.mli
Dressed integrals in F12
2019-10-03 16:58:15 +02:00
math_functions.c
Removed duplicated code
2019-10-24 11:25:49 +02:00
Matrix.ml
[@tailcall] statements
2019-09-10 18:39:14 +02:00
Matrix.mli
FCI with direct davidson
2019-04-03 18:09:13 +02:00
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
Added conjugate-gradient
2019-03-21 16:32:41 +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
Changed data structure of sparse_vector
2019-10-24 23:08:24 +02:00
Util.mli
Removed duplicated code
2019-10-24 11:25:49 +02:00
Vector.ml
Changed data structure of sparse_vector
2019-10-24 23:08:24 +02:00
Vector.mli
Added conjugate-gradient
2019-03-21 16:32:41 +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