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lammps
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simplify code 

(cherry picked from commit 3575913379)
This commit is contained in:
Axel Kohlmeyer 2016-09-01 06:40:51 -04:00
parent 8b1ef1c686
commit c437195928
1 changed files with 3 additions and 3 deletions
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6
src/USER-PHONON/fix_phonon.cpp
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@ -190,7 +190,7 @@ FixPhonon::FixPhonon(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
sprintf(str,"Can not open output file %s",logfile);
error->one(FLERR,str);
}
for (int i = 0; i < 60; ++i) fprintf(flog,"#"); fprintf(flog,"\n");
fprintf(flog,"############################################################\n");
fprintf(flog,"# group name of the atoms under study : %s\n", group->names[igroup]);
fprintf(flog,"# total number of atoms in the group : %d\n", ngroup);
fprintf(flog,"# dimension of the system : %d D\n", sysdim);
@ -200,7 +200,7 @@ FixPhonon::FixPhonon(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
fprintf(flog,"# frequency of the measurement : %d\n", nevery);
fprintf(flog,"# output result after this many measurement: %d\n", nfreq);
fprintf(flog,"# number of processors used by this run : %d\n", nprocs);
for (int i = 0; i < 60; ++i) fprintf(flog,"#"); fprintf(flog,"\n");
fprintf(flog,"############################################################\n");
fprintf(flog,"# mapping information between lattice indices and atom id\n");
fprintf(flog,"# nx ny nz nucell\n");
fprintf(flog,"%d %d %d %d\n", nx, ny, nz, nucell);
@ -214,7 +214,7 @@ FixPhonon::FixPhonon(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
ix = (idx/(nucell*nz*ny))%nx;
fprintf(flog,"%d %d %d %d " TAGINT_FORMAT "\n", ix, iy, iz, iu, itag);
}
for (int i = 0; i < 60; ++i) fprintf(flog,"#"); fprintf(flog,"\n");
fprintf(flog,"############################################################\n");
fflush(flog);
}
surf2tag.clear();