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lammps/tools/phonon/global.h
2023-05-01 20:14:52 -04:00

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379 B
C

#ifndef GLOBAL_H
#define GLOBAL_H
#define ZERO 1.0e-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