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LCPQ
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qp2
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qp2
/
src
/
tools
History
eginer
1f647c595d
added swap_mos.irp.f
2019-03-11 12:22:44 +01:00
..
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
Develop (
#15
)
2019-03-07 16:29:06 +01:00
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
save_natorb.irp.f
Folder -> directory
2019-01-29 23:10:00 +01:00
save_one_e_dm.irp.f
Folder -> directory
2019-01-29 23:10:00 +01:00
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.