LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2025-04-27 02:34:44 +02:00
Code Releases Activity
qp2/ocaml
History
Anthony Scemama 667ad773f9 Comments in selection
2019-02-14 23:13:23 +01:00
..
tests
Initial commit
2019-01-25 11:39:31 +01:00
_tags
Initial commit
2019-01-25 11:39:31 +01:00
.gitignore
Comments in selection
2019-02-14 23:13:23 +01:00
.merlin
Initial commit
2019-01-25 11:39:31 +01:00
Address.ml
Initial commit
2019-01-25 11:39:31 +01:00
Atom.ml
Initial commit
2019-01-25 11:39:31 +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
Basis.mli
Initial commit
2019-01-25 11:39:31 +01:00
Bit.ml
Initial commit
2019-01-25 11:39:31 +01:00
Bit.mli
Initial commit
2019-01-25 11:39:31 +01:00
Bitlist.ml
Initial commit
2019-01-25 11:39:31 +01:00
Bitlist.mli
Initial commit
2019-01-25 11:39:31 +01:00
Charge.ml
Initial commit
2019-01-25 11:39:31 +01:00
Charge.mli
Initial commit
2019-01-25 11:39:31 +01:00
Command_line.ml
Initial commit
2019-01-25 11:39:31 +01:00
Command_line.mli
Initial commit
2019-01-25 11:39:31 +01:00
create_git_sha1.sh
Initial commit
2019-01-25 11:39:31 +01:00
Determinant.ml
Initial commit
2019-01-25 11:39:31 +01:00
Determinant.mli
Initial commit
2019-01-25 11:39:31 +01:00
element_create_db.ml
Initial commit
2019-01-25 11:39:31 +01:00
Element.ml
Initial commit
2019-01-25 11:39:31 +01:00
Element.mli
Initial commit
2019-01-25 11:39:31 +01:00
Excitation.ml
Initial commit
2019-01-25 11:39:31 +01:00
Excitation.mli
Initial commit
2019-01-25 11:39:31 +01:00
Gamess.ml
Initial commit
2019-01-25 11:39:31 +01:00
GaussianPrimitive.ml
Initial commit
2019-01-25 11:39:31 +01:00
Generic_input_of_rst.ml
Initial commit
2019-01-25 11:39:31 +01:00
Gto.ml
Initial commit
2019-01-25 11:39:31 +01:00
Gto.mli
Initial commit
2019-01-25 11:39:31 +01:00
Id.ml
Initial commit
2019-01-25 11:39:31 +01:00
Id.mli
Initial commit
2019-01-25 11:39:31 +01:00
Input_ao_basis.ml
Initial commit
2019-01-25 11:39:31 +01:00
Input_bi_integrals.ml
Initial commit
2019-01-25 11:39:31 +01:00
Input_bitmasks.ml
Initial commit
2019-01-25 11:39:31 +01:00
Input_determinants_by_hand.ml
Initial commit
2019-01-25 11:39:31 +01:00
Input_electrons.ml
Initial commit
2019-01-25 11:39:31 +01:00
Input_mo_basis.ml
Initial commit
2019-01-25 11:39:31 +01:00
Input_nuclei_by_hand.ml
Initial commit
2019-01-25 11:39:31 +01:00
Input.ml
Initial commit
2019-01-25 11:39:31 +01:00
Io_ext.ml
Initial commit
2019-01-25 11:39:31 +01:00
Long_basis.ml
Initial commit
2019-01-25 11:39:31 +01:00
Long_basis.mli
Initial commit
2019-01-25 11:39:31 +01:00
Makefile
Initial commit
2019-01-25 11:39:31 +01:00
Message_lexer.mll
Initial commit
2019-01-25 11:39:31 +01:00
Message.ml
Initial commit
2019-01-25 11:39:31 +01:00
MO_class.ml
Initial commit
2019-01-25 11:39:31 +01:00
MO_class.mli
Initial commit
2019-01-25 11:39:31 +01:00
MO_label.ml
Initial commit
2019-01-25 11:39:31 +01:00
MO_label.mli
Initial commit
2019-01-25 11:39:31 +01:00
Molecule.ml
Initial commit
2019-01-25 11:39:31 +01:00
Molecule.mli
Initial commit
2019-01-25 11:39:31 +01:00
Multiplicity.ml
Initial commit
2019-01-25 11:39:31 +01:00
Multiplicity.mli
Initial commit
2019-01-25 11:39:31 +01:00
myocamlbuild.ml
Initial commit
2019-01-25 11:39:31 +01:00
Point3d.ml
Initial commit
2019-01-25 11:39:31 +01:00
Point3d.mli
Initial commit
2019-01-25 11:39:31 +01:00
Primitive.mli
Initial commit
2019-01-25 11:39:31 +01:00
Progress_bar.ml
Initial commit
2019-01-25 11:39:31 +01:00
Pseudo.ml
Initial commit
2019-01-25 11:39:31 +01:00
qp_create_ezfio.ml
Initial commit
2019-01-25 11:39:31 +01:00
qp_print_basis.ml
Initial commit
2019-01-25 11:39:31 +01:00
qp_run.ml
Initial commit
2019-01-25 11:39:31 +01:00
qp_set_mo_class.ml
Initial commit
2019-01-25 11:39:31 +01:00
Qpackage.ml
Initial commit
2019-01-25 11:39:31 +01:00
qptypes_generator.ml
Initial commit
2019-01-25 11:39:31 +01:00
Qputils.ml
Initial commit
2019-01-25 11:39:31 +01:00
Queuing_system.ml
Initial commit
2019-01-25 11:39:31 +01:00
Queuing_system.mli
Initial commit
2019-01-25 11:39:31 +01:00
Range.ml
Initial commit
2019-01-25 11:39:31 +01:00
Range.mli
Initial commit
2019-01-25 11:39:31 +01:00
README_qp_edit.rst
Initial commit
2019-01-25 11:39:31 +01:00
README.rst
Initial commit
2019-01-25 11:39:31 +01:00
String_ext.ml
Initial commit
2019-01-25 11:39:31 +01:00
Symmetry.ml
Initial commit
2019-01-25 11:39:31 +01:00
Symmetry.mli
Initial commit
2019-01-25 11:39:31 +01:00
TaskServer.ml
Tuned pt2_F
2019-01-28 12:46:08 +01:00
TaskServer.mli
Initial commit
2019-01-25 11:39:31 +01:00
To_md5.ml
Initial commit
2019-01-25 11:39:31 +01:00
Units.ml
Initial commit
2019-01-25 11:39:31 +01:00
Units.mli
Initial commit
2019-01-25 11:39:31 +01:00
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>`_.