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347e918a4a
qp2/src/tools
History
Anthony Scemama 347e918a4a Add print_ci_vector in tools (#11) 
* Fixed energies of non-expected s2

* Moved diag_algorithm in Davdison

* Fixed travis

* Added print_ci_vector

* Documentation

* Cleaned qp_set_mo_class.ml

* Removed Core in taskserver
2019-03-04 10:40:50 -06:00
..
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 Warnings in documentation 2019-01-29 17:09:08 +01:00
NEED Initial commit 2019-01-25 11:39:31 +01:00
print_ci_vectors.irp.f Add print_ci_vector in tools (#11) 2019-03-04 10:40:50 -06:00
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
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.