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

..

.gitignore

Initial commit

2019-01-25 11:39:31 +01:00

cis.1

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cisd.1

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configure.1

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diagonalize_h.1

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excited_states.1

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fci.1

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fcidump.1

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four_idx_transform.1

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interfaces.1

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ks_scf.1

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molden.1

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natural_orbitals.1

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plugins.1

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print_e_conv.1

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print_wf.1

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printing.1

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pt2.1

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qp_convert_output_to_ezfio.1

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qp_create_ezfio_from_xyz.1

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qp_edit.1

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qp_export_as_tgz.1

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qp_plugins.1

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qp_reset.1

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qp_run.1

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qp_set_frozen_core.1

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qp_set_mo_class.1

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qp_stop.1

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qp_update.1

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qpsh.1

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rs_ks_scf.1

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save_natorb.1

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save_one_e_dm.1

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save_ortho_mos.1

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scf.1

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write_integrals_erf.1

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