simplify code (c4371959) · Commits · 郑智淋 / lammps

src/USER-PHONON/fix_phonon.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -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/(nucellnzny))%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();

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