Gromacs
2020.1
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Classes | |
class | AnglePositionIterator |
Helper to encapsulate logic for looping over input selections. More... | |
Enumerations | |
enum | Group1Type { Group1Type_Angle, Group1Type_Dihedral, Group1Type_Vector, Group1Type_Plane } |
How to interpret the selections in -group1. | |
enum | Group2Type { Group2Type_None, Group2Type_Vector, Group2Type_Plane, Group2Type_TimeZero, Group2Type_Z, Group2Type_SphereNormal } |
How to interpret the selections in -group2. | |
Functions | |
void | calc_vec (int natoms, rvec x[], t_pbc *pbc, rvec xout, rvec cout) |
Helper method to calculate a vector from two or three positions. | |
Variables | |
const char *const | cGroup1TypeEnum [] = { "angle", "dihedral", "vector", "plane" } |
String values corresponding to Group1Type. | |
const char *const | cGroup2TypeEnum [] = { "none", "vector", "plane", "t0", "z", "sphnorm" } |
String values corresponding to Group2Type. | |