mirror of
https://github.com/LCPQ/quantum_package
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.. | ||
_tags | ||
.gitignore | ||
Atom.ml | ||
Basis.ml | ||
Basis.mli | ||
Bit.ml | ||
Bitlist.ml | ||
Charge.ml | ||
Charge.mli | ||
Element.ml | ||
Excitation.ml | ||
Gto.ml | ||
Input_ao_basis.ml | ||
Input_bi_integrals.ml | ||
Input_bitmasks.ml | ||
Input_cis.ml | ||
Input_cisd_sc2.ml | ||
Input_determinants.ml | ||
Input_electrons.ml | ||
Input.ml | ||
Long_basis.ml | ||
Long_basis.mli | ||
Makefile | ||
MO_class.ml | ||
Molecule.ml | ||
Multiplicity.ml | ||
Point3d.ml | ||
Primitive.ml | ||
qp_create_ezfio_from_xyz.ml | ||
qp_print.ml | ||
qp_run.ml | ||
qp_set_mo_class.ml | ||
Qpackage.ml | ||
qptypes_generator.ml | ||
Qputils.ml | ||
Range.ml | ||
README.rst | ||
Symmetry.ml | ||
test_atom.ml | ||
test_basis.ml | ||
test_elements.ml | ||
test_excitation.ml | ||
test_gto.ml | ||
test_input.ml | ||
test_molecule.ml | ||
test_point3d.ml | ||
Units.ml |
=============== Ocaml scripts =============== This directory contains all the scripts that control the input/output with the user.