#include "matrix.h" #ifndef CRDMANIP_FUNCS #define CRDMANIP_FUNCS void TransCrd(double* crds, int n_atoms, double* tvec, double step); void RotateCrd(double* crds, int n_atoms, dmat U); void BeardRotMat(double om_x, double om_y, double om_z, dmat r); void ExtCrds(double* crds, int num_atoms, double* ext); void FindCrdCenter(double* crds, double* mass, int m, int n_atoms, double* cm); void CmpXfrm(double* cd, dmat U, dmat invU); void ReImage(double* crds, int n); dmat UndoOct(); double SimpleReIm(double dx); int RenderFrame(double* crd, double* boxd, int natm, FILE *inp); #endif