2015-06-02 18:17:59 +02:00
|
|
|
_build
|
2015-10-17 15:54:29 +02:00
|
|
|
ezfio.ml
|
|
|
|
|
.gitignore
|
|
|
|
|
Input_auto_generated.ml
|
|
|
|
|
Input_determinants.ml
|
|
|
|
|
Input_hartree_fock.ml
|
|
|
|
|
Input_integrals_bielec.ml
|
|
|
|
|
Input_perturbation.ml
|
|
|
|
|
Input_properties.ml
|
|
|
|
|
Input_pseudo.ml
|
|
|
|
|
qp_basis_clean
|
|
|
|
|
qp_basis_clean.native
|
|
|
|
|
qp_create_ezfio_from_xyz
|
2015-06-02 18:17:59 +02:00
|
|
|
qp_create_ezfio_from_xyz.native
|
2015-10-17 15:54:29 +02:00
|
|
|
qp_edit
|
|
|
|
|
qp_edit.ml
|
2015-10-16 13:06:19 +02:00
|
|
|
qp_edit.native
|
2015-10-17 15:54:29 +02:00
|
|
|
qp_print
|
|
|
|
|
qp_print.native
|
|
|
|
|
qp_run
|
2015-10-16 13:06:19 +02:00
|
|
|
qp_run.native
|
2015-10-17 15:54:29 +02:00
|
|
|
qp_set_ddci
|
|
|
|
|
qp_set_ddci.native
|
|
|
|
|
qp_set_mo_class
|
|
|
|
|
qp_set_mo_class.native
|
|
|
|
|
qptypes_generator.byte
|
|
|
|
|
Qptypes.ml
|
|
|
|
|
test_atom
|
|
|
|
|
test_atom.byte
|
|
|
|
|
test_basis
|
2015-10-16 13:06:19 +02:00
|
|
|
test_basis.byte
|
2015-10-17 15:54:29 +02:00
|
|
|
test_bitlist
|
2015-10-16 13:06:19 +02:00
|
|
|
test_bitlist.byte
|
|
|
|
|
test_determinants
|
2015-10-17 15:54:29 +02:00
|
|
|
test_determinants.byte
|
2015-10-16 13:06:19 +02:00
|
|
|
test_elements
|
2015-10-17 15:54:29 +02:00
|
|
|
test_elements.byte
|
|
|
|
|
test_excitation
|
|
|
|
|
test_excitation.byte
|
|
|
|
|
test_gto
|
|
|
|
|
test_gto.byte
|
|
|
|
|
test_mo_label
|
|
|
|
|
test_mo_label.byte
|
|
|
|
|
test_molecule
|
|
|
|
|
test_molecule.byte
|
|
|
|
|
test_point3d
|
|
|
|
|
test_point3d.byte
|
