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make use of utils::strdup()

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This commit is contained in:
Axel Kohlmeyer
2021-02-04 17:00:44 -05:00
parent ab697be9e7
commit 24bf1e5b0c
23 changed files with 277 additions and 517 deletions
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72
src/fix_adapt.cpp
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@ -12,26 +12,26 @@
------------------------------------------------------------------------- */
#include "fix_adapt.h"
#include <cstring>
#include "atom.h"
#include "bond.h"
#include "domain.h"
#include "update.h"
#include "group.h"
#include "modify.h"
#include "force.h"
#include "pair.h"
#include "pair_hybrid.h"
#include "kspace.h"
#include "error.h"
#include "fix_store.h"
#include "force.h"
#include "group.h"
#include "input.h"
#include "variable.h"
#include "respa.h"
#include "kspace.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
#include "modify.h"
#include "pair.h"
#include "pair_hybrid.h"
#include "respa.h"
#include "update.h"
#include "variable.h"
#include <cstring>
using namespace LAMMPS_NS;
using namespace FixConst;
@ -91,21 +91,15 @@ nadapt(0), id_fix_diam(nullptr), id_fix_chg(nullptr), adapt(nullptr)
if (strcmp(arg[iarg],"pair") == 0) {
if (iarg+6 > narg) error->all(FLERR,"Illegal fix adapt command");
adapt[nadapt].which = PAIR;
int n = strlen(arg[iarg+1]) + 1;
adapt[nadapt].pstyle = new char[n];
strcpy(adapt[nadapt].pstyle,arg[iarg+1]);
n = strlen(arg[iarg+2]) + 1;
adapt[nadapt].pparam = new char[n];
adapt[nadapt].pair = nullptr;
strcpy(adapt[nadapt].pparam,arg[iarg+2]);
adapt[nadapt].pstyle = utils::strdup(arg[iarg+1]);
adapt[nadapt].pparam = utils::strdup(arg[iarg+2]);
utils::bounds(FLERR,arg[iarg+3],1,atom->ntypes,
adapt[nadapt].ilo,adapt[nadapt].ihi,error);
utils::bounds(FLERR,arg[iarg+4],1,atom->ntypes,
adapt[nadapt].jlo,adapt[nadapt].jhi,error);
if (utils::strmatch(arg[iarg+5],"^v_")) {
n = strlen(&arg[iarg+5][2]) + 1;
adapt[nadapt].var = new char[n];
strcpy(adapt[nadapt].var,&arg[iarg+5][2]);
adapt[nadapt].var = utils::strdup(arg[iarg+5]+2);
} else error->all(FLERR,"Illegal fix adapt command");
nadapt++;
iarg += 6;
@ -113,19 +107,13 @@ nadapt(0), id_fix_diam(nullptr), id_fix_chg(nullptr), adapt(nullptr)
} else if (strcmp(arg[iarg],"bond") == 0) {
if (iarg+5 > narg) error->all(FLERR, "Illegal fix adapt command");
adapt[nadapt].which = BOND;
int n = strlen(arg[iarg+1]) + 1;
adapt[nadapt].bstyle = new char[n];
strcpy(adapt[nadapt].bstyle,arg[iarg+1]);
n = strlen(arg[iarg+2]) + 1;
adapt[nadapt].bparam = new char[n];
adapt[nadapt].bond = nullptr;
strcpy(adapt[nadapt].bparam,arg[iarg+2]);
adapt[nadapt].bstyle = utils::strdup(arg[iarg+1]);
adapt[nadapt].bparam = utils::strdup(arg[iarg+2]);
utils::bounds(FLERR,arg[iarg+3],1,atom->nbondtypes,
adapt[nadapt].ilo,adapt[nadapt].ihi,error);
if (utils::strmatch(arg[iarg+4],"^v_")) {
n = strlen(&arg[iarg+4][2]) + 1;
adapt[nadapt].var = new char[n];
strcpy(adapt[nadapt].var,&arg[iarg+4][2]);
adapt[nadapt].var = utils::strdup(arg[iarg+4]+2);
} else error->all(FLERR,"Illegal fix adapt command");
nadapt++;
iarg += 5;
@ -134,9 +122,7 @@ nadapt(0), id_fix_diam(nullptr), id_fix_chg(nullptr), adapt(nullptr)
if (iarg+2 > narg) error->all(FLERR,"Illegal fix adapt command");
adapt[nadapt].which = KSPACE;
if (utils::strmatch(arg[iarg+1],"^v_")) {
int n = strlen(&arg[iarg+1][2]) + 1;
adapt[nadapt].var = new char[n];
strcpy(adapt[nadapt].var,&arg[iarg+1][2]);
adapt[nadapt].var = utils::strdup(arg[iarg+1]+2);
} else error->all(FLERR,"Illegal fix adapt command");
nadapt++;
iarg += 2;
@ -155,9 +141,7 @@ nadapt(0), id_fix_diam(nullptr), id_fix_chg(nullptr), adapt(nullptr)
chgflag = 1;
} else error->all(FLERR,"Illegal fix adapt command");
if (utils::strmatch(arg[iarg+2],"^v_")) {
int n = strlen(&arg[iarg+2][2]) + 1;
adapt[nadapt].var = new char[n];
strcpy(adapt[nadapt].var,&arg[iarg+2][2]);
adapt[nadapt].var = utils::strdup(arg[iarg+2]+2);
} else error->all(FLERR,"Illegal fix adapt command");
nadapt++;
iarg += 3;
@ -268,8 +252,7 @@ void FixAdapt::post_constructor()
if (diamflag && atom->radius_flag) {
std::string fixcmd = id + std::string("_FIX_STORE_DIAM");
id_fix_diam = new char[fixcmd.size()+1];
strcpy(id_fix_diam,fixcmd.c_str());
id_fix_diam = utils::strdup(fixcmd);
fixcmd += fmt::format(" {} STORE peratom 1 1",group->names[igroup]);
modify->add_fix(fixcmd);
fix_diam = (FixStore *) modify->fix[modify->nfix-1];
@ -290,8 +273,7 @@ void FixAdapt::post_constructor()
if (chgflag && atom->q_flag) {
std::string fixcmd = id + std::string("_FIX_STORE_CHG");
id_fix_chg = new char[fixcmd.size()+1];
strcpy(id_fix_chg,fixcmd.c_str());
id_fix_chg = utils::strdup(fixcmd);
fixcmd += fmt::format(" {} STORE peratom 1 1",group->names[igroup]);
modify->add_fix(fixcmd);
fix_chg = (FixStore *) modify->fix[modify->nfix-1];
@ -346,10 +328,7 @@ void FixAdapt::init()
// strip it for pstyle arg to pair_match() and set nsub = N
// this should work for appended suffixes as well
int n = strlen(ad->pstyle) + 1;
char *pstyle = new char[n];
strcpy(pstyle,ad->pstyle);
char *pstyle = strdup(ad->pstyle);
char *cptr;
int nsub = 0;
if ((cptr = strchr(pstyle,':'))) {
@ -399,10 +378,7 @@ void FixAdapt::init()
ad->bond = nullptr;
anybond = 1;
int n = strlen(ad->bstyle) + 1;
char *bstyle = new char[n];
strcpy(bstyle,ad->bstyle);
char *bstyle = utils::strdup(ad->bstyle);
if (lmp->suffix_enable) {
int len = 2 + strlen(bstyle) + strlen(lmp->suffix);
char *bsuffix = new char[len];