Home
last modified time | relevance | path

Searched refs:worstE (Results 1 – 1 of 1) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/src/
H A Dforcefield.cpp1671 double bestE, worstE, currentE; in WeightedRotorSearch() local
1702 bestE = worstE = currentE; in WeightedRotorSearch()
1704 if (currentE > worstE) in WeightedRotorSearch()
1705 worstE = currentE; in WeightedRotorSearch()
1724 if (IsNear(worstE, bestE, 1.0e-3)) in WeightedRotorSearch()
1739 bestE = worstE = Energy(false); in WeightedRotorSearch()
1804 } else if (currentE > worstE) { // horrible! in WeightedRotorSearch()
1805 worstE = currentE; in WeightedRotorSearch()
1810 double slope = -0.2 / (worstE - bestE); in WeightedRotorSearch()