lammps/tools/phonon/global.h

14 lines
378 B
C

#ifndef GLOBAL_H
#define GLOBAL_H
#define ZERO 1.e-8
#define MAXLINE 512
#define MIN(a,b) ((a)>(b)?(b):(a))
#define MAX(a,b) ((a)>(b)?(a):(b))
// one can customize the following parameters
#define QSTEP 0.02 // Step size when evaluating phonon dispersion automatically
#define NUMATOM 10 // Maximum # of atoms that will be displayed when printing basis info
#endif