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6998c27b6e
quantum_package/ocaml
History
Anthony Scemama 6998c27b6e Improved AO basis printing
2014-10-26 12:46:17 +01:00
..
_tags Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
.gitignore Bitmasks OK 2014-09-17 00:39:21 +02:00
Atom.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Basis.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
Basis.mli Corrected bugs in ocaml 2014-10-23 14:42:14 +02:00
Bit.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Bitlist.ml Added Input_determinants.ml 2014-10-20 12:19:12 +02:00
Charge.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Charge.mli Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Element.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Excitation.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Gto.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
Input_ao_basis.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
Input_bi_integrals.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
Input_bitmasks.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input_cis.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input_cisd_sc2.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input_determinants.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input_electrons.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input_full_ci.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input_hartree_fock.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input_mo_basis.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input_nuclei.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Input.ml Added Input_nuclei.ml 2014-10-24 00:42:07 +02:00
Long_basis.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
Long_basis.mli Improved AO basis printing 2014-10-26 12:46:17 +01:00
Makefile Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
MO_class.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Molecule.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Multiplicity.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Point3d.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Primitive.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
qp_create_ezfio_from_xyz.ml Corrected bugs in ocaml 2014-10-23 14:42:14 +02:00
qp_edit.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
qp_print.ml Corrected bugs in ocaml 2014-10-23 14:42:14 +02:00
qp_run.ml Added Input_electrons.ml 2014-10-21 23:23:37 +02:00
qp_set_ddci.ml Removed active-virtual in qp_set_ddci 2014-10-24 23:36:35 +02:00
qp_set_mo_class.ml Working on ocaml input 2014-10-18 00:10:25 +02:00
Qpackage.ml Working on ocaml input 2014-10-18 00:10:25 +02:00
qptypes_generator.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
Qputils.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
Range.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
README.rst Added molecule in ocaml 2014-08-24 20:00:26 +02:00
Symmetry.ml Added s-expressions (sexplib) 2014-10-25 21:24:21 +02:00
test_atom.ml Added qp_print.ml 2014-10-07 19:33:11 +02:00
test_basis.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
test_elements.ml Added qp_print.ml 2014-10-07 19:33:11 +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 Improved AO basis printing 2014-10-26 12:46:17 +01:00
test_input.ml Improved AO basis printing 2014-10-26 12:46:17 +01:00
test_molecule.ml Added Molecule.of_xyz_file 2014-08-26 14:39:23 +02:00
test_point3d.ml Added qp_print.ml 2014-10-07 19:33:11 +02:00
Units.ml Added qp_print.ml 2014-10-07 19:33:11 +02:00

README.rst 

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

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