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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-12-15 15:59:11 +00:00
parent 5f802f86b5
commit 074d5962c8
2 changed files with 2867 additions and 0 deletions
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2854
tools/phonon/disp.cpp Normal file
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tools/phonon/global.h Normal file
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#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