fix typos and remove trailing whitespace

This commit is contained in:
Axel Kohlmeyer 2017-04-17 17:40:57 -04:00
parent dd90c860ee
commit dec36e9bfe
5 changed files with 7 additions and 10 deletions

View File

@ -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++)

View File

@ -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");

View File

@ -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++)

View File

@ -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;
}

View File

@ -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.
*/