LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-13 17:43:55 +01:00
Code Issues Releases Wiki Activity
7a9316df55
quantum_package/ocaml
History
Anthony Scemama 7a9316df55 Corrected create_ezfio_from_xyz.ml
2014-09-10 15:11:40 +02:00
..
_tags Added GTOs in Ocaml 2014-08-13 17:54:32 +02:00
.gitignore Added set_mo_class ocaml script 2014-08-26 15:31:16 +02:00
atom.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
basis.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
bit.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
bitlist.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
create_ezfio_from_xyz.ml Corrected create_ezfio_from_xyz.ml 2014-09-10 15:11:40 +02:00
element.ml Function to read the basis of an element 2014-08-23 16:18:19 +02:00
gto.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
Makefile Added set_mo_class ocaml script 2014-08-26 15:31:16 +02:00
molecule.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
multiplicity.ml Added molecule in ocaml 2014-08-24 20:00:26 +02:00
point3d.ml Added molecule in ocaml 2014-08-24 20:00:26 +02:00
primitive.ml Added GTOs in Ocaml 2014-08-13 17:54:32 +02:00
qpackage.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
qptypes_generator.ml Added set_mo_class ocaml script 2014-08-26 15:31:16 +02:00
qputils.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
range.ml Added set_mo_class ocaml script 2014-08-26 15:31:16 +02:00
README.rst Added molecule in ocaml 2014-08-24 20:00:26 +02:00
set_mo_class.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
symmetry.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
test_atom.ml Some utilities for input 2014-08-23 17:07:47 +02:00
test_elements.ml Added molecule in ocaml 2014-08-24 20:00:26 +02:00
test_gto.ml Added xyz types in symmetry (ocaml) 2014-08-27 16:38:13 +02:00
test_molecule.ml Added Molecule.of_xyz_file 2014-08-26 14:39:23 +02:00
test_point3d.ml Some utilities for input 2014-08-23 17:07:47 +02:00

README.rst 

===============
Ocaml scripts
===============

This directory contains all the scripts that control the input/output
with the user.