Searched refs:exxScale (Results 1 – 2 of 2) sorted by relevance
396 exxScale = functionals->libXC.back()->exxScale(); //set exact exchange factor in setup()401 exxScale = functionals->libXC.back()->exxScale(); //set exact exchange factor in setup()476 functionals->add(GGA_X_PBE, 1.-exxScale); in setup()483 functionals->add(GGA_X_wPBE_SR, -exxScale); in setup()491 functionals->add(GGA_X_wPBE_SR, -exxScale); in setup()499 functionals->add(GGA_X_wPBE_SR, -exxScale); in setup()505 exxScale = 1.; in setup()509 if(exxScaleOverride && exxScale!=exxScaleOverride) in setup()514 if(exxScale) in setup()515 { logPrintf("Will include %lg x ", exxScale); in setup()[all …]
127 double exxScale; //scale factor for exact exchange variable