Quantities¶
#include "Spirit/Quantities.h"
Quantity_Get_Magnetization¶
void Quantity_Get_Magnetization(State * state, float m[3], int idx_image=-1, int idx_chain=-1)
Total Magnetization
Quantity_Get_Topological_Charge¶
float Quantity_Get_Topological_Charge(State * state, int idx_image=-1, int idx_chain=-1)
Topological Charge
Quantity_Get_Grad_Force_MinimumMode¶
void Quantity_Get_Grad_Force_MinimumMode(State * state, float * gradient, float * eval, float * mode, float * forces, int idx_image=-1, int idx_chain=-1)
Minimum mode following information