.. _`apdx:testSuitelibefp`: ============================================= LIBEFP ============================================= ============================================= ============ Input File Description ============================================= ============ :srcsample:`libefp/qchem-qmefp-sp` EFP on mixed QM (water) and EFP (water + 2 * ammonia) system. An EFP-only calc performed first to test vales against q-chem. :srcsample:`libefp/efp-grad` EFP gradient many-EFP-fragment system (geom and E from libefp pol_3a test). Tests passing of efp torques. :srcsample:`libefp/qchem-efp-sp` EFP-only single-point, all components for benzene dimer :srcsample:`libefp/qchem-qmefp-puream-sp` EFP on mixed QM (water) and EFP (water + 2 * ammonia) system. An EFP-only calc performed first to test vales against q-chem, both for a native 6D and native 5D basis. :srcsample:`libefp/qmefp-moldomains` EFP on mixed QM and EFP systems, testing that right parts of molecule get activated. ============================================= ============