Anthony Scemama 94f01c0892 Bugs to fix (#50) ... * Add config for knl * Add mising readme * Add .gitignore * Add pseudo to qp_convert * Working pseudo * Dressed matrix for pt2 works for one state * now eigenfunction of S^2 * minor modifs in printing * Fixed the perturbation with psi_ref instead of psi_det * Trying do really fo sin free multiple excitations * Beginning to merge MRCC and MRPT * final version of MRPT, at least I hope * Fix 404: Update Zlib Url. * Delete ifort_knl.cfg * Update module_handler.py * Update pot_ao_pseudo_ints.irp.f * Update map_module.f90 * Restaure map_module.f90 * Update configure * Update configure * Update sort.irp.f * Update sort.irp.f * Update selection.irp.f * Update selection.irp.f * Update dressing.irp.f * TApplencourt IRPF90 -> LCPQ * Remove `irpf90.make` in dependency * Update configure * Missing PROVIDE * Missing PROVIDE * Missing PROVIDE * Missing PROVIDE * Update configure * pouet * density based mrpt2 * debugging FOBOCI * Added SCF_density * New version of FOBOCI * added density.irp.f * minor changes in plugins/FOBOCI/SC2_1h1p.irp.f * added track_orb.irp.f * minor changes * minor modifs in FOBOCI * med * Minor changes * minor changes * strange things in MRPT * minor modifs mend * Fix #185 (Graphviz API / Python 2.6) * beginning to debug dft * fixed the factor 2 in lebedev * DFT integration works for non overlapping densities * DFT begins to work with lda * KS LDA is okay * added core integrals * mend * Beginning logn range integrals * Trying to handle two sets of integrals * beginning to clean erf integrals * Handling of two different mo and ao integrals map		2017-04-20 08:36:11 +02:00
..
ei_handler.py	Repaired broken tests	2016-10-06 17:00:20 +02:00
ezfio_generate_ocaml.py	Ninja work now /tmp/ninja/ninja -v -d explain build_all_binary!	2015-05-25 18:40:20 +02:00
ezfio_generate_provider.py	H with pseudo doesnt segfault	2016-05-10 18:38:54 +02:00
qp_convert_ezfio_v1_to_v2.sh	Update qp_convert_ezfio	2015-05-12 11:32:20 +02:00
qp_convert_output_to_ezfio.py	Bugs to fix (#50)	2017-04-20 08:36:11 +02:00
qp_edit_template	Added -state option to qp_edit	2017-04-12 14:46:12 +02:00
upgrade_1.0_2.0.sh	add michel routine	2015-04-03 13:34:27 +02:00