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qp2/src/tools
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Emmanuel Giner LCT cc578279e7 added rotate mos
2019-05-09 23:58:36 +02:00
..
diagonalize_h.irp.f
Folder -> directory
2019-01-29 23:10:00 +01:00
fcidump.irp.f
Folder -> directory
2019-01-29 23:10:00 +01:00
four_idx_transform.irp.f
Folder -> directory
2019-01-29 23:10:00 +01:00
molden.irp.f
Develop (#15)
2019-03-07 16:29:06 +01:00
NEED
added sort_by_fock_energies.irp.f
2019-03-08 18:12:15 +01:00
print_ci_vectors.irp.f
added rotate mos
2019-05-09 23:58:36 +02:00
print_e_conv.irp.f
Initial commit
2019-01-25 11:39:31 +01:00
print_wf.irp.f
Folder -> directory
2019-01-29 23:10:00 +01:00
README.rst
Initial commit
2019-01-25 11:39:31 +01:00
rotate_mos.irp.f
added rotate mos
2019-05-09 23:58:36 +02:00
save_natorb.irp.f
Folder -> directory
2019-01-29 23:10:00 +01:00
save_one_e_dm.irp.f
added the definition of the input density in the AO basis
2019-04-09 00:10:01 +02:00
save_ortho_mos.irp.f
Initial commit
2019-01-25 11:39:31 +01:00
sort_by_fock_energies.irp.f
added sort_by_fock_energies.irp.f
2019-03-08 18:12:15 +01:00
swap_mos.irp.f
added swap_mos.irp.f
2019-03-11 12:22:44 +01:00
write_integrals_erf.irp.f
Warnings in documentation
2019-01-29 17:09:08 +01:00

README.rst 

=====
tools
=====

Useful tools are grouped in this module.