LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2025-04-28 19:24:46 +02:00
Code Releases Activity
qp2/src/tools
History
Kevin Gasperich a3195ae08a complex mo swap
2020-03-12 18:02:18 -05:00
..
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
Merge alors
2019-10-24 13:56:53 +02:00
NEED
added sort_by_fock_energies.irp.f
2019-03-08 18:12:15 +01:00
print_ci_vectors.irp.f
Add energy components
2019-06-17 09:39:05 +02:00
print_e_conv.irp.f
Initial commit
2019-01-25 11:39:31 +01:00
print_wf.irp.f
minor modifs
2019-10-21 17:32:38 +02:00
README.rst
Initial commit
2019-01-25 11:39:31 +01:00
rotate_mos.irp.f
Updated documentation
2019-06-15 00:29:13 +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
Updated documentation
2019-06-15 00:29:13 +02:00
swap_mos.irp.f
complex mo swap
2020-03-12 18:02:18 -05:00
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.