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QuantumPackage/ocaml
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Emmanuel Giner e124406413 bug fixed in dev-lct
2019-03-12 16:27:48 +01:00
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tests
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_tags
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.gitignore
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.merlin
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Address.ml
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Atom.ml
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Basis.ml
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Bit.ml
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Bitlist.ml
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Bitlist.mli
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c_bindings.c
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Charge.ml
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Charge.mli
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Command_line.ml
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create_git_sha1.sh
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Determinant.ml
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Determinant.mli
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element_create_db.ml
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Element.ml
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Excitation.ml
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Gamess.ml
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GaussianPrimitive.ml
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Generic_input_of_rst.ml
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Gto.ml
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Id.ml
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Id.mli
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Input_ao_basis.ml
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Input_bi_integrals.ml
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Input_bitmasks.ml
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Input_determinants_by_hand.ml
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Input_electrons.ml
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Input_mo_basis.ml
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Input_nuclei_by_hand.ml
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Input.ml
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Io_ext.ml
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Long_basis.ml
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Long_basis.mli
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Makefile
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Message_lexer.mll
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Message.ml
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Molecule.ml
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Multiplicity.ml
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myocamlbuild.ml
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Pseudo.ml
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qp_create_ezfio.ml
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qp_print_basis.ml
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qp_run.ml
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qp_set_mo_class.ml
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Qpackage.ml
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qptypes_generator.ml
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Qputils.ml
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Range.ml
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README_qp_edit.rst
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TaskServer.ml
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Units.ml
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README.rst 

===============
OCaml scripts
===============

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

All executables start with `qp_` and all tests start with `test_`. Modules
file names start with a capital letter.

Info on how to extend the `qp_edit` tool is given in
`README_qp_edit.rst <https://github.com/LCPQ/quantum_package/blob/master/ocaml/README_qp_edit.rst>`_.