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Angstrom.ml
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Documentation
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2018-02-24 23:57:38 +01:00 |
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Angstrom.mli
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Documentation
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2018-03-03 22:29:08 +01:00 |
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AngularMomentum.ml
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Pretty printers
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2018-03-15 15:25:49 +01:00 |
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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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FCIF12 OK for 2 electrons
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2019-03-26 18:02:22 +01:00 |
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Bohr.ml
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Documentation
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2018-02-24 23:57:38 +01:00 |
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Bohr.mli
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Documentation and printing
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2018-03-16 00:23:47 +01:00 |
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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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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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Coordinate.ml
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Documentation and printing
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2018-03-16 00:23:47 +01:00 |
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Coordinate.mli
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Documentation and printing
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2018-03-16 00:23:47 +01:00 |
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DIIS.ml
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Accelerated RHF
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2018-05-31 18:50:34 +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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CAS+EN2 works for multiple determinants
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2019-03-19 15:05:58 +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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Memory mapped 4idx
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2019-03-29 17:38:19 +01:00 |
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FourIdxStorage.mli
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Memory mapped 4idx
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2019-03-29 17:38:19 +01:00 |
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Matrix.ml
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F12-FCI maybe works
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2019-03-22 00:34:00 +01:00 |
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Matrix.mli
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Not working yet
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2019-03-21 21:48:21 +01:00 |
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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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Added conjugate-gradient
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2019-03-21 16:32:41 +01:00 |
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Util.mli
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Generalized bitstrings
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2019-03-26 01:20:17 +01:00 |
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Vector.ml
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Added conjugate-gradient
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2019-03-21 16:32:41 +01:00 |
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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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Reimplemented arbitrary space
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2019-03-03 01:43:04 +01:00 |
Anthony Scemama
33387b6c24