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qp2/ocaml
History
Anthony Scemama 6148624fe7
Optimized qp_edit -n (#60)
2019-08-21 16:29:23 +02:00
..
tests Initial commit 2019-01-25 11:39:31 +01:00
_tags Removed core 2019-03-13 15:49:57 +01:00
.merlin Initial commit 2019-01-25 11:39:31 +01:00
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Atom.ml Removing Core 2019-03-13 14:08:02 +01:00
Atom.mli Initial commit 2019-01-25 11:39:31 +01:00
Basis.ml Initial commit 2019-01-25 11:39:31 +01:00
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Bit.ml Removing Core 2019-03-13 14:08:02 +01:00
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c_bindings.c Develop (#15) 2019-03-07 16:29:06 +01:00
Charge.ml Removing Core 2019-03-13 14:08:02 +01:00
Charge.mli Initial commit 2019-01-25 11:39:31 +01:00
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create_git_sha1.sh Removing Core 2019-03-13 14:08:02 +01:00
Determinant.ml Optimized qp_edit -n (#60) 2019-08-21 16:29:23 +02:00
Determinant.mli Initial commit 2019-01-25 11:39:31 +01:00
element_create_db.ml Removed unused variable 2019-05-27 12:08:31 +02:00
Element.ml Updated atomic data 2019-05-28 11:42:36 +02:00
Element.mli Updated atomic data 2019-05-28 11:42:36 +02:00
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Input_ao_basis.ml Removed core 2019-03-13 15:49:57 +01:00
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Input_determinants_by_hand.ml Optimized qp_edit -n (#60) 2019-08-21 16:29:23 +02:00
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Input_mo_basis.ml Removed core 2019-03-13 15:49:57 +01:00
Input_nuclei_by_hand.ml Removed core 2019-03-13 15:49:57 +01:00
Input.ml Removed core 2019-03-13 15:49:57 +01:00
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MO_class.mli Initial commit 2019-01-25 11:39:31 +01:00
MO_label.ml added MCSCF type (for PETER) 2019-04-11 17:04:49 +02:00
MO_label.mli updated MO_label.mli 2019-04-17 17:32:07 +02:00
Molecule.ml Removed core 2019-03-13 15:49:57 +01:00
Molecule.mli Initial commit 2019-01-25 11:39:31 +01:00
Multiplicity.ml Removing Core 2019-03-13 14:08:02 +01:00
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myocamlbuild.ml Develop (#15) 2019-03-07 16:29:06 +01:00
Point3d.ml Removed Core from qp_create_ezfio.ml 2019-03-13 11:35:21 +01:00
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Primitive.mli Initial commit 2019-01-25 11:39:31 +01:00
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qp_create_ezfio.ml Removed core 2019-03-13 15:49:57 +01:00
qp_print_basis.ml Develop (#15) 2019-03-07 16:29:06 +01:00
qp_run.ml Removed Core from qp_run 2019-03-13 14:44:21 +01:00
qp_set_mo_class.ml Develop (#15) 2019-03-07 16:29:06 +01:00
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README_qp_edit.rst Initial commit 2019-01-25 11:39:31 +01:00
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TaskServer.mli Develop (#15) 2019-03-07 16:29:06 +01:00
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Zmatrix.ml Initial commit 2019-01-25 11:39:31 +01:00

README.rst 

===============
OCaml scripts
===============

This directory contains all the scripts that control the input/output
with the user.

All executables start with `qp_` and all tests start with `test_`. Modules
file names start with a capital letter.

Info on how to extend the `qp_edit` tool is given in
`README_qp_edit.rst <https://github.com/LCPQ/quantum_package/blob/master/ocaml/README_qp_edit.rst>`_.