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use more compact format for system output

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This commit is contained in:
Axel Kohlmeyer
2015-06-13 17:31:31 -04:00
parent 85d38d8b83
commit c461e88700
1 changed files with 26 additions and 6 deletions
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32
src/info.cpp
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@ -18,6 +18,7 @@
#include "string.h"
#include "info.h"
#include "atom.h"
#include "force.h"
#include "group.h"
#include "input.h"
#include "variable.h"
@ -70,14 +71,33 @@ void Info::command(int narg, char **arg)
} else if (strcmp(arg[0],"system") == 0) {
fprintf(screen,"System information:\n");
fprintf(screen,"Units = %s\n",update->unit_style);
fprintf(screen,"Units = %s\n",update->unit_style);
fprintf(screen,"Atom style = %s\n", atom->atom_style);
fprintf(screen,"Atom map = %s\n", mapstyles[atom->map_style]);
fprintf(screen,"Natoms = " BIGINT_FORMAT "\n", atom->natoms);
fprintf(screen,"Nbonds = " BIGINT_FORMAT "\n", atom->nbonds);
fprintf(screen,"Nangles = " BIGINT_FORMAT "\n", atom->nangles);
fprintf(screen,"Ndihedrals = " BIGINT_FORMAT "\n", atom->ndihedrals);
fprintf(screen,"Nimpropers = " BIGINT_FORMAT "\n", atom->nimpropers);
fprintf(screen,"Atoms / types = " BIGINT_FORMAT " / %d\n",
atom->natoms, atom->ntypes);
if (atom->molecular > 0) {
fprintf(screen,"Molecule type = %s\n",
(atom->molecular == 2) ? "template" : "standard");
fprintf(screen,"Bonds / types = " BIGINT_FORMAT " / %d\n",
atom->nbonds, atom->nbondtypes);
fprintf(screen,"Angles / types = " BIGINT_FORMAT " / %d\n",
atom->nangles, atom->nangletypes);
fprintf(screen,"Dihedrals / types = " BIGINT_FORMAT " / %d\n",
atom->ndihedrals, atom->ndihedraltypes);
fprintf(screen,"impropers / types = " BIGINT_FORMAT " / %d\n",
atom->nimpropers, atom->nimpropertypes);
const double * const special_lj = force->special_lj;
const double * const special_coul = force->special_coul;
fprintf(screen,"Special bond factors lj: %-10g %-10g %-10g\n"
"Special bond factors coul: %-10g %-10g %-10g\n",
special_lj[1],special_lj[2],special_lj[3],
special_coul[1],special_coul[2],special_coul[3]);
}
} else {
error->all(FLERR,"Unknown info command style");