diff --git a/tools/msi2lmp/src/GetParameters.c b/tools/msi2lmp/src/GetParameters.c index e183c529e0..192b4d296c 100644 --- a/tools/msi2lmp/src/GetParameters.c +++ b/tools/msi2lmp/src/GetParameters.c @@ -136,7 +136,7 @@ void GetParameters() if (forcefield & (FF_TYPE_CLASS1|FF_TYPE_OPLSAA)) { bondtypes[i].params[0] = ff_bond.data[k].ff_param[1]; bondtypes[i].params[1] = ff_bond.data[k].ff_param[0]; - } + } if (forcefield & FF_TYPE_CLASS2) { for (j=0; j < 4; j++) diff --git a/tools/msi2lmp/src/InitializeItems.c b/tools/msi2lmp/src/InitializeItems.c index 4df9fd0f10..1e33636913 100644 --- a/tools/msi2lmp/src/InitializeItems.c +++ b/tools/msi2lmp/src/InitializeItems.c @@ -68,7 +68,7 @@ void InitializeItems(void) if (forcefield & (FF_TYPE_CLASS1|FF_TYPE_OPLSAA)) { strcpy(ff_tor.keyword,"#torsion_1"); ff_tor.number_of_parameters = 3; - } + } if (forcefield & FF_TYPE_CLASS2) { strcpy(ff_tor.keyword,"#torsion_3"); diff --git a/tools/msi2lmp/src/WriteDataFile.c b/tools/msi2lmp/src/WriteDataFile.c index 498978406f..c03eba71c5 100644 --- a/tools/msi2lmp/src/WriteDataFile.c +++ b/tools/msi2lmp/src/WriteDataFile.c @@ -144,7 +144,7 @@ void WriteDataFile(char *nameroot) else if (forcefield & FF_TYPE_CLASS2) fputs(" # class2\n\n",DatF); } else fputs("\n\n",DatF); - + for (i=0; i < no_angle_types; i++) { fprintf(DatF, " %3i", i+1); for ( j = 0; j < m; j++) diff --git a/tools/msi2lmp/src/msi2lmp.c b/tools/msi2lmp/src/msi2lmp.c index c94d4b4d73..15cfddd258 100644 --- a/tools/msi2lmp/src/msi2lmp.c +++ b/tools/msi2lmp/src/msi2lmp.c @@ -142,9 +142,6 @@ * and to make the program fully dynamic. The second version used * fixed dimension arrays for the internal coordinates. * -* John Carpenter can be contacted by sending email to -* jec374@earthlink.net -* * November 2000 */ @@ -356,7 +353,7 @@ int main (int argc, char *argv[]) if (centerflag) puts(" Output is recentered around geometrical center"); if (hintflag) puts(" Output contains style flag hints"); else puts(" Style flag hints disabled"); - printf(" System translated by: %g %g %g\n",shift[0],shift[1],shift[2]); + printf(" System translated by: %g %g %g\n",shift[0],shift[1],shift[2]); } n = 0; @@ -374,7 +371,7 @@ int main (int argc, char *argv[]) if (n == 0) { if (iflag > 0) fputs(" WARNING",stderr); else fputs(" Error ",stderr); - + fputs("- forcefield name and class appear to be inconsistent\n\n",stderr); if (iflag == 0) return 7; } diff --git a/tools/msi2lmp/src/msi2lmp.h b/tools/msi2lmp/src/msi2lmp.h index 377ab1a6c3..4716f719d6 100644 --- a/tools/msi2lmp/src/msi2lmp.h +++ b/tools/msi2lmp/src/msi2lmp.h @@ -24,13 +24,13 @@ * and to make the program fully dynamic. The second version used * fixed dimension arrays for the internal coordinates. * -* The thrid version was revised in Fall 2011 by +* The third version was revised in Fall 2011 by * Stephanie Teich-McGoldrick to add support non-orthogonal cells. * * The next revision was started in Summer/Fall 2013 by * Axel Kohlmeyer to improve portability to Windows compilers, * clean up command line parsing and improve compatibility with -* the then current LAMMPS versions. This revision removes +* the then current LAMMPS versions. This revision removes * compatibility with the obsolete LAMMPS version written in Fortran 90. */