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AngularMomentum.ml
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[@tailcall] statements
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2019-09-10 18:39:14 +02:00 |
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AngularMomentum.mli
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Documentation and printing
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2018-03-16 00:23:47 +01:00 |
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Bitstring.ml
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[@tailcall] statements
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2019-09-10 18:39:14 +02:00 |
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Charge.ml
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Documentation and printing
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2018-03-16 00:23:47 +01:00 |
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Charge.mli
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Documentation and printing
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2018-03-16 00:23:47 +01:00 |
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Cholesky.ml
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[@tailcall] statements
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2019-09-10 18:39:14 +02:00 |
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Command_line.ml
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Working on parallelism
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2019-02-25 14:37:20 +01:00 |
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Constants.ml
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Davidson works
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2019-02-27 14:56:59 +01:00 |
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Constants.mli
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Davidson works
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2019-02-27 14:56:59 +01:00 |
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Conventions.ml
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--amend
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2019-11-14 13:00:10 +01:00 |
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Conventions.mli
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--amend
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2019-11-14 13:00:10 +01:00 |
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Coordinate.ml
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Introduced phantom types for Bohr/Angstrom
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2019-06-18 14:29:57 +02:00 |
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Coordinate.mli
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Introduced phantom types for Bohr/Angstrom
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2019-06-18 14:29:57 +02:00 |
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DIIS.ml
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[@tailcall] statements
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2019-09-10 18:39:14 +02:00 |
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DIIS.mli
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Minor changes
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2019-01-15 15:18:01 +01:00 |
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Davidson.ml
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Rephasing
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2019-11-14 10:58:57 +01:00 |
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Electrons.ml
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Determinant space OK
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2019-02-20 19:43:16 +01:00 |
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Electrons.mli
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Determinant space OK
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2019-02-20 19:43:16 +01:00 |
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FourIdxStorage.ml
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Added three-e contrbutions
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2019-11-04 23:51:47 +01:00 |
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FourIdxStorage.mli
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Dressed integrals in F12
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2019-10-03 16:58:15 +02:00 |
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Matrix.ml
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[@tailcall] statements
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2019-09-10 18:39:14 +02:00 |
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Matrix.mli
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FCI with direct davidson
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2019-04-03 18:09:13 +02:00 |
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NonNegativeFloat.ml
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Hash table for zkey_array
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2018-03-13 18:24:00 +01:00 |
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NonNegativeFloat.mli
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Added MatrixOnBasis
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2018-06-13 19:03:42 +02:00 |
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Point.mli
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Documentation
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2018-02-26 10:43:21 +01:00 |
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Powers.ml
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Documentation
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2018-02-25 00:53:09 +01:00 |
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Powers.mli
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Documentation
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2018-02-25 00:53:09 +01:00 |
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Printing.ml
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Fixed Farm
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2019-03-02 16:48:35 +01:00 |
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Range.ml
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Added conjugate-gradient
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2019-03-21 16:32:41 +01:00 |
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Range.mli
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Cleaned simulation
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2019-02-20 18:15:15 +01:00 |
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SphericalToCartesian.ml
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Spherical works
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2018-05-30 01:15:45 +02:00 |
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SphericalToCartesian.mli
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Spherical works
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2018-05-30 01:15:45 +02:00 |
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Spin.ml
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S2 is programmed in CI
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2019-02-22 19:19:11 +01:00 |
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Spin.mli
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S2 is programmed in CI
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2019-02-22 19:19:11 +01:00 |
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Util.ml
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Small optimizations
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2019-11-13 11:07:39 +01:00 |
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Util.mli
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Removed duplicated code
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2019-10-24 11:25:49 +02:00 |
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Vector.ml
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Changed data structure of sparse_vector
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2019-10-24 23:08:24 +02:00 |
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Vector.mli
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Added conjugate-gradient
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2019-03-21 16:32:41 +01:00 |
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Zkey.ml
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Nuclei for T2
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2018-06-29 16:04:40 +02:00 |
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Zkey.mli
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Nuclei for T2
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2018-06-29 16:04:40 +02:00 |
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Zmap.ml
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Minimal screening
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2018-01-20 01:49:50 +01:00 |
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Zmap.mli
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Documentation
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2018-03-03 22:29:08 +01:00 |
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math_functions.c
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Removed duplicated code
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2019-10-24 11:25:49 +02:00 |
Anthony Scemama
35e63bf4fc