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