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mirror of https://github.com/LCPQ/quantum_package synced 2024-09-26 19:40:57 +02:00
quantum_package/ocaml
2019-01-16 18:31:10 +01:00
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tests A lot of renaming 2019-01-05 01:58:19 +01:00
_tags Command_line.ml 2019-01-11 19:10:12 +01:00
.merlin Changed ao_coef to ao_coef_normalized_ordered 2015-04-25 01:10:02 +02:00
Address.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Atom.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Atom.mli Cleaning in scripts 2019-01-14 15:20:51 +01:00
Basis.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Basis.mli Wf analyzis 2016-12-19 13:27:16 +01:00
Bit.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Bit.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Bitlist.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Bitlist.mli A lot of renaming 2019-01-05 01:58:19 +01:00
Charge.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Charge.mli Cleaning in scripts 2019-01-14 15:20:51 +01:00
Command_line.ml Fixed options 2019-01-14 19:52:41 +01:00
Command_line.mli Improved qp completion 2019-01-14 22:37:24 +01:00
create_git_sha1.sh Updated Git.ml 2017-09-01 14:34:53 +02:00
Determinant.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Determinant.mli Cleaning in scripts 2019-01-14 15:20:51 +01:00
element_create_db.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Element.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Element.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Excitation.ml Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Excitation.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Gamess.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
GaussianPrimitive.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Generic_input_of_rst.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Gto.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Gto.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Id.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Id.mli Removed core from queuing_system 2016-10-13 12:32:22 +02:00
Input_ao_basis.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Input_bi_integrals.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Input_bitmasks.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Input_determinants_by_hand.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Input_electrons.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Input_mo_basis.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Input_nuclei_by_hand.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Input.ml Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Io_ext.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Long_basis.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Long_basis.mli Cleaning in scripts 2019-01-14 15:20:51 +01:00
Makefile Improved qp completion 2019-01-14 22:37:24 +01:00
Message_lexer.mll Control in put/get 2017-11-29 13:53:24 +01:00
Message.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
MO_class.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
MO_class.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
MO_label.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
MO_label.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Molecule.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Molecule.mli Cleaning in scripts 2019-01-14 15:20:51 +01:00
Multiplicity.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Multiplicity.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
myocamlbuild.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Point3d.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Point3d.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Primitive.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Progress_bar.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Pseudo.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
qp_create_ezfio.ml Renamed qp_create_ezfio 2019-01-16 18:31:10 +01:00
qp_print_basis.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
qp_run.ml Fixed options 2019-01-14 19:52:41 +01:00
qp_set_mo_class.ml Fixed options 2019-01-14 19:52:41 +01:00
Qpackage.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
qptypes_generator.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Qputils.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Queuing_system.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Queuing_system.mli Cleaning in scripts 2019-01-14 15:20:51 +01:00
Range.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Range.mli Cleaning in scripts 2019-01-14 15:20:51 +01:00
README_qp_edit.rst Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
README.rst Typo 2017-07-11 07:18:59 +02:00
String_ext.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Symmetry.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Symmetry.mli Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
TaskServer.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
TaskServer.mli Changes for OCaml zmq-5.0 2018-05-09 12:22:54 +02:00
To_md5.ml Strating to remove Core 2017-08-18 19:43:52 +02:00
Units.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00
Units.mli Cleaning 2014-10-27 01:14:18 +01:00
Zmatrix.ml Cleaning in scripts 2019-01-14 15:20:51 +01:00

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