git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2362 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2009-01-09 18:18:56 +00:00
parent 6e3f2830ec
commit b698d94df8
7 changed files with 77 additions and 10 deletions

View File

@ -19,6 +19,7 @@
#include "atom.h"
#include "force.h"
#include "domain.h"
#include "modify.h"
#include "error.h"
using namespace LAMMPS_NS;
@ -103,6 +104,16 @@ int FixThermalConductivity::setmask()
void FixThermalConductivity::init()
{
// warn if any fix ave/spatial comes after this fix
// can cause glitch in averaging since ave will happen after swap
int foundme = 0;
for (int i = 0; i < modify->nfix; i++) {
if (modify->fix[i] == this) foundme = 1;
if (foundme && strcmp(modify->fix[i]->style,"ave/spatial") == 0 && me == 0)
error->warning("Fix thermal/conductivity comes before fix ave/spatial");
}
// set bounds of 2 slabs in edim
// only necessary for static box, else re-computed in end_of_step()
// lo bin is always bottom bin