Anthony Scemama 49e9488f62 Develop (#10) ... * fixed laplacian of aos * corrected the laplacians of aos * added dft_one_e * added new feature for new dft functionals * changed the configure to add new functionals * changed the configure * added dft_one_e/README.rst * added README.rst in new_functionals * added source/programmers_guide/new_ks.rst * Thesis Yann * Added gmp installation in configure * improved qp_e_conv_fci * Doc * Typos * Added variance_max * Fixed completion in qp_create * modif TODO * fixed DFT potential for n_states gt 1 * improved pot pbe * trying to improve sr PBE * fixed potential pbe * fixed the vxc smashed for pbe sr and normal * Comments in selection * bug fixed by peter * Fixed bug with zero beta electrons * Update README.rst * Update e_xc_new_func.irp.f * Update links.rst * Update quickstart.rst * Update quickstart.rst * updated cipsi * Fixed energies of non-expected s2 (#9) * Moved diag_algorithm in Davdison		2019-02-22 19:19:58 +01:00
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cn3_energy.png	Initial commit	2019-01-25 11:39:31 +01:00
dependencies_func.fig	Develop (#10)	2019-02-22 19:19:58 +01:00
dependencies_func.pdf	Develop (#10)	2019-02-22 19:19:58 +01:00
links.rst	Develop (#10)	2019-02-22 19:19:58 +01:00
qp.png	Initial commit	2019-01-25 11:39:31 +01:00
qp2.png	Initial commit	2019-01-25 11:39:31 +01:00
speedup_davidson.png	Initial commit	2019-01-25 11:39:31 +01:00
speedup_pt2.png	Initial commit	2019-01-25 11:39:31 +01:00