Gromacs
2024.3
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Data structure for position keyword evaluation.
Public Attributes | |
gmx::PositionCalculationCollection * | pcc |
Position calculation collection to use. More... | |
gmx_ana_index_t | g |
Index group for which the center should be evaluated. More... | |
gmx_ana_poscalc_t * | pc |
Position evaluation data structure. More... | |
bool | bPBC |
true if periodic boundary conditions should be used. More... | |
char * | type |
Type of positions to calculate. More... | |
int | flags |
Flags for the position calculation. More... | |
bool t_methoddata_pos::bPBC |
true if periodic boundary conditions should be used.
int t_methoddata_pos::flags |
Flags for the position calculation.
gmx_ana_index_t t_methoddata_pos::g |
Index group for which the center should be evaluated.
gmx_ana_poscalc_t* t_methoddata_pos::pc |
Position evaluation data structure.
gmx::PositionCalculationCollection* t_methoddata_pos::pcc |
Position calculation collection to use.
char* t_methoddata_pos::type |
Type of positions to calculate.