4 commits

Author	SHA1	Message	Date
Juerg Hutter	8a724e3728	Response properties and Harris functionals (#706) ... * Energy Correction moved to DFT section, new regtests Towards Harris Functional Forces Harris force: CPKS equations Harris Forces Debug Code Harris functional + external field and dipole Harris forces: refactoring, CPKS solver * Response: HFX and ADMM-HFX Linear response: HFX and ADMM * Debug Linres regtest adjustments * Refactoring of hfx_derivatives: from mp2 specific to response * Harris: HFX+ADMM ground state (1. part) Harris forces for ADMM (not debugged) * Harris functional using linear scaling methods * Harris: solver and MAO	2020-01-06 21:34:36 +01:00
Vladimir Rybkin	4287be85ca	fixed basis: ANO-DZ for Si (BASIS_SET), and DZVP-GTH-BLYP for Li (ALL_BASIS_SETS) ... svn-origin-rev: 17545	2016-11-10 15:34:43 +00:00
Jürg Hutter	641858f520	NLCC Documentation and Data (Tiziano Mueller) ... svn-origin-rev: 16973	2016-05-31 11:59:15 +00:00
Ole Schütt	99a6473da5	Move simulation parameters into separate data directory ... svn-origin-rev: 14380	2014-10-02 15:18:16 +00:00

Renamed from tests/QS/BASIS_SET (Browse further)