more debugging for fcc example

This commit is contained in:
Steve Plimpton
2023-09-01 22:58:10 -06:00
parent 40def67942
commit 8c3ab47fd6
3 changed files with 33 additions and 7 deletions

View File

@ -129,10 +129,12 @@ void CreateBox::command(int narg, char **arg)
origin[2] = pz;
px = ahi; py = blo; pz = clo;
printf("CB PXYZ %g %g %g\n",px,py,pz);
domain->lattice->lattice2box(px,py,pz);
avec[0] = px - origin[0];
avec[1] = py - origin[1];
avec[2] = pz - origin[2];
printf("CB AVEC %g %g %g\n",avec[0],avec[1],avec[2]);
px = alo; py = bhi; pz = clo;
domain->lattice->lattice2box(px,py,pz);