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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.