jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Merge pull request #393 from akohlmey/small-bugfixes 

Small bugfixes
This commit is contained in:
sjplimp 2017-03-07 09:56:03 -07:00 committed by GitHub
parent 920641bbff ce1a3f25e1
commit a2fa6ef452
3 changed files with 3 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
src/compute_chunk_atom.cpp
View File

@ -616,6 +616,7 @@ void ComputeChunkAtom::setup()
{ {
if (nchunkflag == ONCE) setup_chunks(); if (nchunkflag == ONCE) setup_chunks();
if (idsflag == ONCE) compute_ichunk(); if (idsflag == ONCE) compute_ichunk();
else invoked_ichunk = -1;
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------

2
src/pair.cpp
View File

@ -1534,7 +1534,7 @@ void Pair::virial_fdotr_compute()
void Pair::write_file(int narg, char **arg) void Pair::write_file(int narg, char **arg)
{ {
if (narg < 8) error->all(FLERR,"Illegal pair_write command"); if (narg != 8 && narg != 10) error->all(FLERR,"Illegal pair_write command");
if (single_enable == 0) if (single_enable == 0)
error->all(FLERR,"Pair style does not support pair_write"); error->all(FLERR,"Pair style does not support pair_write");

2
src/region_block.cpp
View File

@ -401,7 +401,7 @@ double RegBlock::find_closest_point(int i, double *x,
zc = p[2]; zc = p[2];
} }
point_on_line_segment(corners[i][3],corners[i][4],x,p); point_on_line_segment(corners[i][3],corners[i][0],x,p);
d2 = (p[0]-x[0])*(p[0]-x[0]) + (p[1]-x[1])*(p[1]-x[1]) + d2 = (p[0]-x[0])*(p[0]-x[0]) + (p[1]-x[1])*(p[1]-x[1]) +
(p[2]-x[2])*(p[2]-x[2]); (p[2]-x[2])*(p[2]-x[2]);
if (d2 < d2min) { if (d2 < d2min) {