Searched refs:SDM_Limit (Results 1 – 3 of 3) sorted by relevance
53 …int SDM_Limit; //!< if the number of atoms in the au exceeds this limit shortest distance is not c… variable
1327 chgl->SDM_Limit=mole.einstellung->value("SDM-LIMIT", 350).toInt(); in Window()5433 …mmetric unit to skip automatic distance calculation on loading" , chgl->SDM_Limit, 100, 10000, 1, … in setSDMLimit()5435 chgl->SDM_Limit=i; in setSDMLimit()5450 mole.einstellung->setValue("SDM-LIMIT", chgl->SDM_Limit); in closeEvent()15193 if ((!notRefine)&&(mole.asymm.size()<chgl->SDM_Limit)) mole.packer(mole.sdmcompleter()); in load_sheldrick()15297 if ((!notRefine)&&(mole.asymm.size()<chgl->SDM_Limit)) { in load_sheldrick()15305 if ((mole.asymm.size()>chgl->SDM_Limit)&&(chgl->dratpause==80)) in load_sheldrick()
2936 …if (mol->asymm.size()<=SDM_Limit)return;//sdm is done regularly if number is below so we do not ha… in sdm()