PTEROSOR/QuantumPackage
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QuantumPackage/src/tools
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Anthony Scemama 81bc60eb58
Merge develop-toto and manus (#12) 
* 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

* Frozen core for heavy atoms

* Improved molden module

* In sync with manus

* Fixed some of the documentation errors
2019-03-06 14:12:55 +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 Merge develop-toto and manus (#12) 2019-03-06 14:12:55 +01:00
NEED Initial commit 2019-01-25 11:39:31 +01:00
print_ci_vectors.irp.f Merge develop-toto and manus (#12) 2019-03-06 14:12:55 +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
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.