LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2025-03-18 14:46:49 +01:00
Code Issues Releases Wiki Activity
quantum_package/ocaml
History
Anthony Scemama 287a2b1ef3 Added ocaml/opam install in setup_environment.sh
2014-10-07 14:45:44 +02:00
..
_tags
Added ocaml/opam install in setup_environment.sh
2014-10-07 14:45:44 +02:00
.gitignore
Bitmasks OK
2014-09-17 00:39:21 +02:00
Atom.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
Basis.ml
Working on the basis set in xyz->ezfio
2014-09-17 23:47:13 +02:00
Basis.mli
Working on the basis set in xyz->ezfio
2014-09-17 23:47:13 +02:00
Bit.ml
Renaming of ocaml modules with capital letters
2014-09-16 23:17:22 +02:00
Bitlist.ml
Lazy evaluation of bit_kind_size
2014-09-17 12:34:31 +02:00
Element.ml
Renaming of ocaml modules with capital letters
2014-09-16 23:17:22 +02:00
Excitation.ml
Renaming of ocaml modules with capital letters
2014-09-16 23:17:22 +02:00
Gto.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
Long_basis.ml
Working on the basis set in xyz->ezfio
2014-09-17 23:47:13 +02:00
Long_basis.mli
Working on the basis set in xyz->ezfio
2014-09-17 23:47:13 +02:00
Makefile
Added ocaml/opam install in setup_environment.sh
2014-10-07 14:45:44 +02:00
MO_class.ml
Bitmasks OK
2014-09-17 00:39:21 +02:00
Molecule.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
Multiplicity.ml
Renaming of ocaml modules with capital letters
2014-09-16 23:17:22 +02:00
Point3d.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
Primitive.ml
Renaming of ocaml modules with capital letters
2014-09-16 23:17:22 +02:00
qp_create_ezfio_from_xyz.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
qp_set_mo_class.ml
Robots.txt
2014-09-18 10:04:00 +02:00
Qpackage.ml
Lazy evaluation of bit_kind_size
2014-09-17 12:34:31 +02:00
qptypes_generator.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
Qputils.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
Range.ml
Renaming of ocaml modules with capital letters
2014-09-16 23:17:22 +02:00
README.rst
Added molecule in ocaml
2014-08-24 20:00:26 +02:00
Symmetry.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
Symmetry.mli
xyz to ezfio works
2014-09-18 17:01:43 +02:00
test_atom.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00
test_basis.ml
Working on the basis set in xyz->ezfio
2014-09-17 23:47:13 +02:00
test_elements.ml
Added molecule in ocaml
2014-08-24 20:00:26 +02:00
test_excitation.ml
Changing qp_set_mo_class.ml. Not finished yet
2014-09-16 18:58:42 +02:00
test_gto.ml
Working on the basis set in xyz->ezfio
2014-09-17 23:47:13 +02:00
test_molecule.ml
Added Molecule.of_xyz_file
2014-08-26 14:39:23 +02:00
test_point3d.ml
xyz to ezfio works
2014-09-18 17:01:43 +02:00

README.rst 

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

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