multi-data-file support for bond, angles, diheddral, impropers

2021-01-11 16:00:37 -05:00
parent 03b697a6e0
commit d7fb74f0be
5 changed files with 34 additions and 15 deletions
--- a/src/write_data.cpp
+++ b/src/write_data.cpp
@ -186,7 +186,7 @@ void WriteData::write(const std::string &file)

  if (me == 0) {
    header();
-    atom->lmap->write_data(fp); // NOTE: always write for now, for testing
+    if (atom->labelmapflag) atom->lmap->write_data(fp);
    type_arrays();
    if (coeffflag) force_fields();
  }