PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-13 01:23:52 +01:00
Code Releases Activity
a97ca302c7
QuantumPackage/src/tools
History
Anthony Scemama 6c930b70f5 Added restoration of symmetry
2020-11-11 01:12:52 +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 Stupid typo 2020-09-03 09:27:24 +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_energy.irp.f Fixed print_energy 2020-07-14 15:23:53 +02:00
print_hamiltonian.irp.f Removed dead code 2020-02-26 23:30:38 +01:00
print_wf.irp.f cleaned some dirty non ascii character 2020-03-31 18:40:20 +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 en - ne 2020-03-24 09:32:16 +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 Added restoration of symmetry 2020-11-11 01:12:52 +01:00
sort_by_fock_energies.irp.f Updated documentation 2019-06-15 00:29:13 +02:00
swap_mos.irp.f Updated documentation 2019-06-15 00:29:13 +02:00
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.