Home
last modified time | relevance | path

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

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Dupdategroups.cpp164 struct AtomIndexExtremes struct
171 static AtomIndexExtremes vsiteConstructRange(int a, const gmx_moltype_t& moltype) in vsiteConstructRange()
173 AtomIndexExtremes extremes = { -1, -1 }; in vsiteConstructRange()
199 static AtomIndexExtremes constraintAtomRange(int a, in constraintAtomRange()
203 AtomIndexExtremes extremes = { a, a }; in constraintAtomRange()
267 AtomIndexExtremes extremes = vsiteConstructRange(a, moltype); in detectGroup()
292 AtomIndexExtremes extremes = constraintAtomRange(a, at2con, ilistConstraints); in detectGroup()
309 AtomIndexExtremes extremes = vsiteConstructRange(lastAtom + 1, moltype); in detectGroup()