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simplify format handling

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This commit is contained in:
Axel Kohlmeyer
2021-07-29 15:26:29 -04:00
parent dcff3d70e0
commit b108da3e5c
3 changed files with 31 additions and 56 deletions
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44
src/MISC/pair_srp.cpp
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@ -28,24 +28,23 @@ Please contact Timothy Sirk for questions (tim.sirk@us.army.mil).
#include "pair_srp.h"
#include <cmath>
#include <cstring>
#include "atom.h"
#include "citeme.h"
#include "comm.h"
#include "force.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "memory.h"
#include "error.h"
#include "domain.h"
#include "modify.h"
#include "error.h"
#include "fix.h"
#include "fix_srp.h"
#include "thermo.h"
#include "force.h"
#include "memory.h"
#include "modify.h"
#include "neigh_list.h"
#include "neighbor.h"
#include "output.h"
#include "citeme.h"
#include "thermo.h"
#include <cmath>
#include <cstring>
using namespace LAMMPS_NS;
@ -79,26 +78,15 @@ PairSRP::PairSRP(LAMMPS *lmp) : Pair(lmp)
nextra = 1;
segment = nullptr;
// generate unique fix-id for this pair style instance
fix_id = strdup("XX_FIX_SRP");
fix_id[0] = '0' + srp_instance / 10;
fix_id[1] = '0' + srp_instance % 10;
++srp_instance;
// create fix SRP instance here
// create fix SRP instance here with unique fix id
// similar to granular pair styles with history,
// this should be early enough that FixSRP::pre_exchange()
// will be invoked before other fixes that migrate atoms
// this is checked for in FixSRP
char **fixarg = new char*[3];
fixarg[0] = fix_id;
fixarg[1] = (char *) "all";
fixarg[2] = (char *) "SRP";
modify->add_fix(3,fixarg);
modify->add_fix(fmt::format("{:02d}_FIX_SRP all SRP",srp_instance));
f_srp = (FixSRP *) modify->fix[modify->nfix-1];
delete [] fixarg;
++srp_instance;
}
/* ----------------------------------------------------------------------
@ -468,10 +456,8 @@ void PairSRP::init_style()
if (f_srp != (FixSRP *)modify->fix[ifix])
error->all(FLERR,"Fix SRP has been changed unexpectedly");
if (comm->me == 0) {
if (screen) fprintf(screen,"Using type %d for bond particles\n",bptype);
if (logfile) fprintf(logfile,"Using type %d for bond particles\n",bptype);
}
if (comm->me == 0)
utils::logmesg(lmp,"Using type {} for bond particles\n",bptype);
// set bond and bond particle types in fix srp
// bonds of this type will be represented by bond particles