QuantumPackage

mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-03 20:53:54 +01:00

History

Anthony Scemama 1db465d0f9 Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq		2019-04-01 18:03:12 +02:00
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tests	Initial commit	2019-01-25 11:39:31 +01:00
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Address.ml	Initial commit	2019-01-25 11:39:31 +01:00
Atom.ml	Removing Core	2019-03-13 14:08:02 +01:00
Atom.mli	Initial commit	2019-01-25 11:39:31 +01:00
Basis.ml	Initial commit	2019-01-25 11:39:31 +01:00
Basis.mli	Initial commit	2019-01-25 11:39:31 +01:00
Bit.ml	Removing Core	2019-03-13 14:08:02 +01:00
Bit.mli	Initial commit	2019-01-25 11:39:31 +01:00
Bitlist.ml	Removing Core	2019-03-13 14:08:02 +01:00
Bitlist.mli	Initial commit	2019-01-25 11:39:31 +01:00
c_bindings.c	Develop (#15 )	2019-03-07 16:29:06 +01:00
Charge.ml	Removing Core	2019-03-13 14:08:02 +01:00
Charge.mli	Initial commit	2019-01-25 11:39:31 +01:00
Command_line.ml	Initial commit	2019-01-25 11:39:31 +01:00
Command_line.mli	Initial commit	2019-01-25 11:39:31 +01:00
create_git_sha1.sh	Removing Core	2019-03-13 14:08:02 +01:00
Determinant.ml	Initial commit	2019-01-25 11:39:31 +01:00
Determinant.mli	Initial commit	2019-01-25 11:39:31 +01:00
element_create_db.ml	Removed unused variable	2019-03-20 13:45:25 +01:00
Element.ml	Removed Core from qp_create_ezfio.ml	2019-03-13 11:35:21 +01:00
Element.mli	Initial commit	2019-01-25 11:39:31 +01:00
Excitation.ml	Removing Core	2019-03-13 14:08:02 +01:00
Excitation.mli	Initial commit	2019-01-25 11:39:31 +01:00
Gamess.ml	Removed core	2019-03-13 15:49:57 +01:00
GaussianPrimitive.ml	Removing Core	2019-03-13 14:08:02 +01:00
Generic_input_of_rst.ml	Removing Core	2019-03-13 14:08:02 +01:00
Gto.ml	Initial commit	2019-01-25 11:39:31 +01:00
Gto.mli	Initial commit	2019-01-25 11:39:31 +01:00
Id.ml	Initial commit	2019-01-25 11:39:31 +01:00
Id.mli	Initial commit	2019-01-25 11:39:31 +01:00
Input_ao_basis.ml	Removed core	2019-03-13 15:49:57 +01:00
Input_bitmasks.ml	Removed core	2019-03-13 15:49:57 +01:00
Input_determinants_by_hand.ml	Removed core	2019-03-13 15:49:57 +01:00
Input_electrons.ml	Removed core	2019-03-13 15:49:57 +01:00
Input_mo_basis.ml	Removed core	2019-03-13 15:49:57 +01:00
Input_nuclei_by_hand.ml	Removed core	2019-03-13 15:49:57 +01:00
Input.ml	Removed core	2019-03-13 15:49:57 +01:00
Io_ext.ml	Initial commit	2019-01-25 11:39:31 +01:00
Long_basis.ml	Initial commit	2019-01-25 11:39:31 +01:00
Long_basis.mli	Initial commit	2019-01-25 11:39:31 +01:00
Makefile	Initial commit	2019-01-25 11:39:31 +01:00
Message_lexer.mll	Initial commit	2019-01-25 11:39:31 +01:00
Message.ml	Removing Core	2019-03-13 14:08:02 +01:00
MO_class.ml	Removed Core from qp_create_ezfio.ml	2019-03-13 11:35:21 +01:00
MO_class.mli	Initial commit	2019-01-25 11:39:31 +01:00
MO_label.ml	Removed Core from qp_create_ezfio.ml	2019-03-13 11:35:21 +01:00
MO_label.mli	Initial commit	2019-01-25 11:39:31 +01:00
Molecule.ml	Removed core	2019-03-13 15:49:57 +01:00
Molecule.mli	Initial commit	2019-01-25 11:39:31 +01:00
Multiplicity.ml	Removing Core	2019-03-13 14:08:02 +01:00
Multiplicity.mli	Initial commit	2019-01-25 11:39:31 +01:00
myocamlbuild.ml	Develop (#15 )	2019-03-07 16:29:06 +01:00
Point3d.ml	Removed Core from qp_create_ezfio.ml	2019-03-13 11:35:21 +01:00
Point3d.mli	Initial commit	2019-01-25 11:39:31 +01:00
Primitive.mli	Initial commit	2019-01-25 11:39:31 +01:00
Progress_bar.ml	Removing Core	2019-03-13 14:08:02 +01:00
Pseudo.ml	Removing Core	2019-03-13 14:08:02 +01:00
qp_create_ezfio.ml	Removed core	2019-03-13 15:49:57 +01:00
qp_print_basis.ml	Develop (#15 )	2019-03-07 16:29:06 +01:00
qp_run.ml	Removed Core from qp_run	2019-03-13 14:44:21 +01:00
qp_set_mo_class.ml	Develop (#15 )	2019-03-07 16:29:06 +01:00
Qpackage.ml	Removing Core	2019-03-13 14:08:02 +01:00
qptypes_generator.ml	Initial commit	2019-01-25 11:39:31 +01:00
Qputils.ml	Removed core	2019-03-13 15:49:57 +01:00
Queuing_system.ml	Removed core	2019-03-13 15:49:57 +01:00
Queuing_system.mli	Initial commit	2019-01-25 11:39:31 +01:00
Range.ml	Initial commit	2019-01-25 11:39:31 +01:00
Range.mli	Initial commit	2019-01-25 11:39:31 +01:00
README_qp_edit.rst	Initial commit	2019-01-25 11:39:31 +01:00
README.rst	Initial commit	2019-01-25 11:39:31 +01:00
String_ext.ml	Removed core	2019-03-13 15:49:57 +01:00
Symmetry.ml	Initial commit	2019-01-25 11:39:31 +01:00
Symmetry.mli	Initial commit	2019-01-25 11:39:31 +01:00
TaskServer.ml	Removing Core	2019-03-13 14:08:02 +01:00
TaskServer.mli	Develop (#15 )	2019-03-07 16:29:06 +01:00
To_md5.ml	Initial commit	2019-01-25 11:39:31 +01:00
Units.ml	Initial commit	2019-01-25 11:39:31 +01:00
Units.mli	Initial commit	2019-01-25 11:39:31 +01:00
Zmatrix.ml	Initial commit	2019-01-25 11:39:31 +01:00

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>`_.