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enable fix rigid to support 2d enforcement internally

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This commit is contained in:
Steve Plimpton
2023-04-03 17:21:11 -06:00
parent c9b6fad6a0
commit 8d523c0604
8 changed files with 361 additions and 369 deletions
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36
src/fix_enforce2d.cpp
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@ -27,12 +27,9 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixEnforce2D::FixEnforce2D(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
flist(nullptr)
Fix(lmp, narg, arg)
{
if (narg != 3) error->all(FLERR,"Illegal fix enforce2d command");
nfixlist = 0;
}
/* ---------------------------------------------------------------------- */
@ -40,8 +37,6 @@ FixEnforce2D::FixEnforce2D(LAMMPS *lmp, int narg, char **arg) :
FixEnforce2D::~FixEnforce2D()
{
if (copymode) return;
delete [] flist;
}
/* ---------------------------------------------------------------------- */
@ -61,29 +56,6 @@ void FixEnforce2D::init()
{
if (domain->dimension == 3)
error->all(FLERR,"Cannot use fix enforce2d with 3d simulation");
// list of fixes with enforce2d methods
nfixlist = 0;
for (int i = 0; i < modify->nfix; i++)
if (modify->fix[i]->enforce2d_flag) nfixlist++;
if (nfixlist) {
int myindex = -1;
delete [] flist;
flist = new Fix*[nfixlist];
nfixlist = 0;
for (int i = 0; i < modify->nfix; i++) {
if (modify->fix[i]->enforce2d_flag) {
if (myindex < 0)
flist[nfixlist++] = modify->fix[i];
else
error->all(FLERR,"Fix enforce2d must be defined after fix {}",
modify->fix[i]->style);
}
if (modify->fix[i] == this) myindex = i;
}
}
}
/* ---------------------------------------------------------------------- */
@ -153,12 +125,6 @@ void FixEnforce2D::post_force(int /*vflag*/)
torque[i][1] = 0.0;
}
}
// invoke other fixes that enforce 2d
// fix rigid variants
for (int m = 0; m < nfixlist; m++)
flist[m]->enforce2d();
}
/* ---------------------------------------------------------------------- */