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Cleaning up peratom variables, adding peratom variables to fix rheo/interface

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This commit is contained in:
jtclemm
2023-04-12 17:05:05 -06:00
parent 79ddd1445f
commit 986cfd6641
18 changed files with 184 additions and 180 deletions
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5
src/RHEO/fix_rheo.cpp
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@ -21,6 +21,7 @@
#include "atom.h"
#include "compute_rheo_grad.h"
#include "compute_rheo_interface.h"
#include "compute_rheo_surface.h"
#include "compute_rheo_kernel.h"
#include "compute_rheo_rhosum.h"
#include "compute_rheo_vshift.h"
@ -37,7 +38,7 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixRHEO::FixRHEO(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), compute_grad(nullptr), compute_kernel(nullptr),
Fix(lmp, narg, arg), compute_grad(nullptr), compute_kernel(nullptr), compute_surface(nullptr),
compute_interface(nullptr), compute_rhosum(nullptr), compute_vshift(nullptr)
{
time_integrate = 1;
@ -258,7 +259,7 @@ void FixRHEO::initial_integrate(int /*vflag*/)
double **gradr = compute_grad->gradr;
double **gradv = compute_grad->gradv;
double **vshift = compute_vshift->array_atom;
double **vshift = compute_vshift->vshift;
int *type = atom->type;
int *mask = atom->mask;