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modernize

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This commit is contained in:
Axel Kohlmeyer
2025-01-18 15:54:34 -05:00
parent 2817ad036f
commit 9cca8ab179
1 changed files with 12 additions and 15 deletions
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27
src/RIGID/compute_rigid_local.cpp
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@ -13,14 +13,16 @@
------------------------------------------------------------------------- */
#include "compute_rigid_local.h"
#include <cstring>
#include "atom.h"
#include "update.h"
#include "domain.h"
#include "error.h"
#include "modify.h"
#include "fix_rigid_small.h"
#include "memory.h"
#include "error.h"
#include "update.h"
#include <cstring>
using namespace LAMMPS_NS;
@ -98,8 +100,8 @@ ComputeRigidLocal::~ComputeRigidLocal()
{
memory->destroy(vlocal);
memory->destroy(alocal);
delete [] idrigid;
delete [] rstyle;
delete[] idrigid;
delete[] rstyle;
}
/* ---------------------------------------------------------------------- */
@ -108,16 +110,11 @@ void ComputeRigidLocal::init()
{
// set fixrigid
int ifix = modify->find_fix(idrigid);
if (ifix < 0)
error->all(FLERR,"FixRigidSmall ID for compute rigid/local does not exist");
fixrigid = dynamic_cast<FixRigidSmall *>(modify->fix[ifix]);
int flag = 0;
if (strstr(fixrigid->style,"rigid/") == nullptr) flag = 1;
if (strstr(fixrigid->style,"/small") == nullptr) flag = 1;
if (flag)
error->all(FLERR,"Compute rigid/local does not use fix rigid/small fix");
auto ifix = modify->get_fix_by_id(idrigid);
if (!ifix) error->all(FLERR,"FixRigidSmall ID {} for compute rigid/local does not exist", idrigid);
fixrigid = dynamic_cast<FixRigidSmall *>(ifix);
if (!fixrigid)
error->all(FLERR,"Fix ID {} for compute rigid/local does not point to fix rigid/small", idrigid);
// do initial memory allocation so that memory_usage() is correct