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final set of styles in the src folder to be simplified

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This commit is contained in:
Axel Kohlmeyer
2020-06-28 23:25:37 -04:00
parent f94eeece72
commit a1c0b78a3a
3 changed files with 21 additions and 41 deletions
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20
src/compute_msd_chunk.cpp
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@ -14,6 +14,7 @@
#include "compute_msd_chunk.h"
#include <mpi.h>
#include <cstring>
#include <string>
#include "atom.h"
#include "group.h"
#include "update.h"
@ -23,6 +24,7 @@
#include "fix_store.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
@ -56,21 +58,13 @@ ComputeMSDChunk::ComputeMSDChunk(LAMMPS *lmp, int narg, char **arg) :
// potentially re-populate the fix array (and change it to correct size)
// otherwise size reset and init will be done in setup()
n = strlen(id) + strlen("_COMPUTE_STORE") + 1;
id_fix = new char[n];
strcpy(id_fix,id);
strcat(id_fix,"_COMPUTE_STORE");
std::string fixcmd = id + std::string("_COMPUTE_STORE");
id_fix = new char[fixcmd.size()+1];
strcpy(id_fix,fixcmd.c_str());
char **newarg = new char*[6];
newarg[0] = id_fix;
newarg[1] = group->names[igroup];
newarg[2] = (char *) "STORE";
newarg[3] = (char *) "global";
newarg[4] = (char *) "1";
newarg[5] = (char *) "1";
modify->add_fix(6,newarg);
fixcmd += fmt::format(" {} STORE global 1 1",group->names[igroup]);
modify->add_fix(fixcmd);
fix = (FixStore *) modify->fix[modify->nfix-1];
delete [] newarg;
}
/* ---------------------------------------------------------------------- */