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adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom

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This commit is contained in:
Axel Kohlmeyer
2022-08-04 11:33:14 -04:00
parent 63fc9fcc62
commit 6c32058728
35 changed files with 203 additions and 214 deletions
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39
src/balance.cpp
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@ -26,7 +26,7 @@
#include "neighbor.h"
#include "comm.h"
#include "domain.h"
#include "fix_store.h"
#include "fix_store_peratom.h"
#include "imbalance.h"
#include "imbalance_group.h"
#include "imbalance_neigh.h"
@ -78,26 +78,26 @@ Balance::~Balance()
memory->destroy(proccost);
memory->destroy(allproccost);
delete [] user_xsplit;
delete [] user_ysplit;
delete [] user_zsplit;
delete[] user_xsplit;
delete[] user_ysplit;
delete[] user_zsplit;
if (shift_allocate) {
delete [] bdim;
delete [] onecost;
delete [] allcost;
delete [] sum;
delete [] target;
delete [] lo;
delete [] hi;
delete [] losum;
delete [] hisum;
delete[] bdim;
delete[] onecost;
delete[] allcost;
delete[] sum;
delete[] target;
delete[] lo;
delete[] hi;
delete[] losum;
delete[] hisum;
}
delete rcb;
for (int i = 0; i < nimbalance; i++) delete imbalances[i];
delete [] imbalances;
delete[] imbalances;
// check nfix in case all fixes have already been deleted
@ -143,7 +143,7 @@ void Balance::command(int narg, char **arg)
if (1 + procgrid[0]-1 > narg)
error->all(FLERR,"Illegal balance command");
xflag = USER;
delete [] user_xsplit;
delete[] user_xsplit;
user_xsplit = new double[procgrid[0]+1];
user_xsplit[0] = 0.0;
iarg++;
@ -163,7 +163,7 @@ void Balance::command(int narg, char **arg)
if (1 + procgrid[1]-1 > narg)
error->all(FLERR,"Illegal balance command");
yflag = USER;
delete [] user_ysplit;
delete[] user_ysplit;
user_ysplit = new double[procgrid[1]+1];
user_ysplit[0] = 0.0;
iarg++;
@ -183,7 +183,7 @@ void Balance::command(int narg, char **arg)
if (1 + procgrid[2]-1 > narg)
error->all(FLERR,"Illegal balance command");
zflag = USER;
delete [] user_zsplit;
delete[] user_zsplit;
user_zsplit = new double[procgrid[2]+1];
user_zsplit[0] = 0.0;
iarg++;
@ -496,8 +496,9 @@ void Balance::weight_storage(char *prefix)
if (prefix) cmd = prefix;
cmd += "IMBALANCE_WEIGHTS";
fixstore = dynamic_cast<FixStore *>( modify->get_fix_by_id(cmd));
if (!fixstore) fixstore = dynamic_cast<FixStore *>( modify->add_fix(cmd + " all STORE peratom 0 1"));
fixstore = dynamic_cast<FixStorePeratom *>(modify->get_fix_by_id(cmd));
if (!fixstore)
fixstore = dynamic_cast<FixStorePeratom *>(modify->add_fix(cmd + " all STORE/PERATOM 0 1"));
// do not carry weights with atoms during normal atom migration