ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2014-03-10 14:24:09 +00:00
parent 88cd9113f0
commit 3f7d79ab82
7 changed files with 2102 additions and 2095 deletions
Download Patch File Download Diff File Expand all files Collapse all files

3
tools/msi2lmp/src/WriteDataFile.c
View File

@ -30,7 +30,8 @@ void WriteDataFile(char *nameroot)
if (forcefield & (FF_TYPE_CLASS1|FF_TYPE_OPLSAA)) total_no_angle_angles = 0;
fprintf(DatF, "LAMMPS data file from msi2lmp v3.8 for %s\n\n", nameroot);
fprintf(DatF, "LAMMPS data file. msi2lmp " MSI2LMP_VERSION
" / CGCMM for %s\n\n", nameroot);
fprintf(DatF, " %6d atoms\n", total_no_atoms);
fprintf(DatF, " %6d bonds\n", total_no_bonds);
fprintf(DatF, " %6d angles\n",total_no_angles);