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QuantumPackage/ocaml
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Anthony Scemama 0bf0513fb1 Added VERSION file
2021-06-11 14:18:23 +02:00
..
tests
_tags
.merlin
Address.ml Initial commit 2019-01-25 11:39:31 +01:00
Angmom.ml Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Angmom.mli Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Atom.ml
Atom.mli Initial commit 2019-01-25 11:39:31 +01:00
Basis.ml
Basis.mli
Bit.ml
Bit.mli
Bitlist.ml
Bitlist.mli
c_bindings.c
Charge.ml
Charge.mli
Command_line.ml Initial commit 2019-01-25 11:39:31 +01:00
Command_line.mli
create_git_sha1.sh
Determinant.ml
Determinant.mli Faster determinants in OCaml 2019-08-22 01:03:08 +02:00
element_create_db.ml
Element.ml
Element.mli
Excitation.ml
Excitation.mli
Gamess.ml
GaussianPrimitive.ml Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Generic_input_of_rst.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
Gto.ml Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Gto.mli Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Id.ml
Id.mli
Input_ao_basis.ml Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Input_bitmasks.ml
Input_determinants_by_hand.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
Input_electrons.ml
Input_mo_basis.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
Input_nuclei_by_hand.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
Input.ml
Io_ext.ml
Long_basis.ml Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Long_basis.mli Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Makefile WIP 2021-01-12 14:23:33 +01:00
Message_lexer.mll
Message.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
MO_class.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
MO_class.mli
MO_label.ml
MO_label.mli
Molecule.ml Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev 2020-05-29 00:11:16 +02:00
Molecule.mli
Multiplicity.ml
Multiplicity.mli
myocamlbuild.ml Develop (#15) 2019-03-07 16:29:06 +01:00
Point3d.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
Point3d.mli
Primitive.mli Changed Symmetry into Angmom in OCaml 2021-05-21 16:42:48 +02:00
Progress_bar.ml
Pseudo.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
qp_create_ezfio.ml Added VERSION file 2021-06-11 14:18:23 +02:00
qp_print_basis.ml
qp_run.ml
qp_set_mo_class.ml
qp_tunnel.ml
Qpackage.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
qptypes_generator.ml Minor changes 2020-12-15 23:46:19 +01:00
Qputils.ml Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
Queuing_system.ml
Queuing_system.mli
Range.ml Initial commit 2019-01-25 11:39:31 +01:00
Range.mli
README_qp_edit.rst
README.rst
String_ext.ml
TaskServer.ml Clean ZMQ termination 2020-04-06 00:37:52 +02:00
TaskServer.mli
To_md5.ml
Units.ml Fixed Schwartz and added banned-excitations 2020-09-25 15:14:56 +02:00
Units.mli
Zmatrix.ml

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>`_.