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mirror of https://github.com/QuantumPackage/qp2.git synced 2025-01-03 10:05:52 +01:00
QuantumPackage/ocaml
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tests Initial commit 2019-01-25 11:39:31 +01:00
_tags
.merlin
Address.ml
Angmom.ml
Angmom.mli
Atom.ml
Atom.mli
Basis.ml
Basis.mli
Bit.ml
Bit.mli
Bitlist.ml
Bitlist.mli
c_bindings.c
Charge.ml
Charge.mli
Command_line.ml
Command_line.mli
create_git_sha1.sh
Determinant.ml
Determinant.mli
element_create_db.ml
Element.ml
Element.mli
Excitation.ml
Excitation.mli
Gamess.ml Removed core 2019-03-13 15:49:57 +01:00
GaussianPrimitive.ml
Generic_input_of_rst.ml
Gto.ml
Gto.mli
Id.ml
Id.mli
Input_ao_basis.ml
Input_bitmasks.ml
Input_determinants_by_hand.ml
Input_electrons.ml
Input_mo_basis.ml
Input_nuclei_by_hand.ml
Input.ml
Io_ext.ml
Long_basis.ml
Long_basis.mli
Makefile
Message_lexer.mll
Message.ml
MO_class.ml
MO_class.mli
MO_label.ml
MO_label.mli
Molecule.ml
Molecule.mli
Multiplicity.ml
Multiplicity.mli
myocamlbuild.ml
Point3d.ml
Point3d.mli
Primitive.mli
Progress_bar.ml
Pseudo.ml
qp_create_ezfio.ml
qp_print_basis.ml
qp_run.ml
qp_set_mo_class.ml
qp_tunnel.ml
Qpackage.ml
qptypes_generator.ml
Qputils.ml
Queuing_system.ml
Queuing_system.mli
Range.ml
Range.mli
README_qp_edit.rst
README.rst
String_ext.ml Removed core 2019-03-13 15:49:57 +01:00
TaskServer.ml
TaskServer.mli
To_md5.ml
Units.ml
Units.mli
Zmatrix.ml

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