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mirror of https://github.com/LCPQ/quantum_package synced 2024-07-23 03:07:34 +02:00
quantum_package/ocaml
..
_tags
.merlin
Address.ml
Atom.ml
Atom.mli
Basis.ml
Basis.mli
Bit.ml
Bit.mli
Bitlist.ml
Bitlist.mli
Charge.ml
Charge.mli
create_git_sha1.sh
Determinant.ml
Determinant.mli
Element.ml
Element.mli
Excitation.ml
Excitation.mli
Generic_input_of_rst.ml
Gto.ml
Gto.mli
Id.ml
Input_ao_basis.ml
Input_bi_integrals.ml
Input_bitmasks.ml
Input_determinants_by_hand.ml
Input_electrons.ml
Input_mo_basis.ml
Input_nuclei.ml
Input.ml
Long_basis.ml
Long_basis.mli
Makefile
Message.ml
MO_class.ml
MO_class.mli
MO_label.ml
MO_label.mli
Molecule.ml
Molecule.mli
Multiplicity.ml
Multiplicity.mli
Point3d.ml
Point3d.mli
Primitive.ml
Primitive.mli
Progress_bar.ml
Pseudo.ml
qp_basis_clean.ml
qp_create_ezfio_from_xyz.ml
qp_print_basis.ml
qp_print.ml
qp_run.ml
qp_set_ddci.ml
qp_set_mo_class.ml
Qpackage.ml
qptypes_generator.ml
Qputils.ml
Queuing_system.ml
Range.ml
Range.mli
README_qp_edit.rst
README.rst
Symmetry.ml
Symmetry.mli
TaskServer.ml
test_atom.ml
test_basis.ml
test_bitlist.ml
test_determinants.ml
test_elements.ml
test_excitation.ml
test_gto.ml
test_message.ml
test_mo_label.ml
test_molecule.ml
test_point3d.ml
test_pseudo.ml
test_queuing_system.ml
test_symmetry.ml
test_task_server.ml
test_task_server.py
To_md5.ml
Units.ml
Units.mli

===============
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>`_.