modernize

This commit is contained in:
Axel Kohlmeyer
2021-09-16 00:54:46 -04:00
parent c83ad07740
commit a47df02f79
7 changed files with 19 additions and 19 deletions

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@ -527,7 +527,7 @@ void PairEDIP::allocateGrids(void)
pre-calculated structures pre-calculated structures
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void PairEDIP::allocatePreLoops(void) void PairEDIP::allocatePreLoops()
{ {
int nthreads = comm->nthreads; int nthreads = comm->nthreads;
@ -545,7 +545,7 @@ void PairEDIP::allocatePreLoops(void)
deallocate grids deallocate grids
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void PairEDIP::deallocateGrids(void) void PairEDIP::deallocateGrids()
{ {
memory->destroy(cutoffFunction); memory->destroy(cutoffFunction);
memory->destroy(cutoffFunctionDerived); memory->destroy(cutoffFunctionDerived);
@ -562,7 +562,7 @@ void PairEDIP::deallocateGrids(void)
deallocate preLoops deallocate preLoops
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
void PairEDIP::deallocatePreLoops(void) void PairEDIP::deallocatePreLoops()
{ {
memory->destroy(preInvR_ij); memory->destroy(preInvR_ij);
memory->destroy(preExp3B_ij); memory->destroy(preExp3B_ij);
@ -597,7 +597,7 @@ void PairEDIP::settings(int narg, char ** /*arg*/)
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void PairEDIP::initGrids(void) void PairEDIP::initGrids()
{ {
int l; int l;
int numGridPointsOneCutoffFunction; int numGridPointsOneCutoffFunction;

View File

@ -506,7 +506,7 @@ void PairTersoffTable::compute(int eflag, int vflag)
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void PairTersoffTable::deallocatePreLoops(void) void PairTersoffTable::deallocatePreLoops()
{ {
memory->destroy(preGtetaFunction); memory->destroy(preGtetaFunction);
memory->destroy(preGtetaFunctionDerived); memory->destroy(preGtetaFunctionDerived);
@ -514,7 +514,7 @@ void PairTersoffTable::deallocatePreLoops(void)
memory->destroy(preCutoffFunctionDerived); memory->destroy(preCutoffFunctionDerived);
} }
void PairTersoffTable::allocatePreLoops(void) void PairTersoffTable::allocatePreLoops()
{ {
deallocatePreLoops(); deallocatePreLoops();
memory->create(preGtetaFunction,leadingDimensionInteractionList, memory->create(preGtetaFunction,leadingDimensionInteractionList,
@ -538,7 +538,7 @@ void PairTersoffTable::deallocateGrids()
memory->destroy(betaZetaPowerDerived); memory->destroy(betaZetaPowerDerived);
} }
void PairTersoffTable::allocateGrids(void) void PairTersoffTable::allocateGrids()
{ {
int i, j, k, l; int i, j, k, l;

View File

@ -68,9 +68,9 @@ enum{MOVEATOM,MOVEMOL}; // movemode
FixGCMC::FixGCMC(LAMMPS *lmp, int narg, char **arg) : FixGCMC::FixGCMC(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), Fix(lmp, narg, arg),
idregion(nullptr), full_flag(0), ngroups(0), groupstrings(nullptr), ngrouptypes(0), grouptypestrings(nullptr), idregion(nullptr), full_flag(false), ngroups(0), groupstrings(nullptr), ngrouptypes(0),
grouptypebits(nullptr), grouptypes(nullptr), local_gas_list(nullptr), molcoords(nullptr), molq(nullptr), molimage(nullptr), grouptypestrings(nullptr), grouptypebits(nullptr), grouptypes(nullptr), local_gas_list(nullptr),
random_equal(nullptr), random_unequal(nullptr), molcoords(nullptr), molq(nullptr), molimage(nullptr), random_equal(nullptr), random_unequal(nullptr),
fixrigid(nullptr), fixshake(nullptr), idrigid(nullptr), idshake(nullptr) fixrigid(nullptr), fixshake(nullptr), idrigid(nullptr), idshake(nullptr)
{ {
if (narg < 11) error->all(FLERR,"Illegal fix gcmc command"); if (narg < 11) error->all(FLERR,"Illegal fix gcmc command");

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@ -59,9 +59,8 @@ enum{EXCHATOM,EXCHMOL}; // exchmode
FixWidom::FixWidom(LAMMPS *lmp, int narg, char **arg) : FixWidom::FixWidom(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), Fix(lmp, narg, arg),
idregion(nullptr), full_flag(0), idregion(nullptr), full_flag(false), local_gas_list(nullptr), molcoords(nullptr),
local_gas_list(nullptr), molcoords(nullptr), molq(nullptr), molimage(nullptr), molq(nullptr), molimage(nullptr), random_equal(nullptr)
random_equal(nullptr)
{ {
if (narg < 8) error->all(FLERR,"Illegal fix widom command"); if (narg < 8) error->all(FLERR,"Illegal fix widom command");

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@ -75,7 +75,7 @@ negotiate an appropriate license for such distribution."
#include <sys/file.h> #include <sys/file.h>
#endif #endif
#include <errno.h> #include <cerrno>
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using namespace FixConst; using namespace FixConst;

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@ -12,6 +12,7 @@
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include "fix_pair_tracker.h" #include "fix_pair_tracker.h"
#include "atom.h" #include "atom.h"
#include "atom_vec.h" #include "atom_vec.h"
#include "error.h" #include "error.h"
@ -21,7 +22,7 @@
#include "tokenizer.h" #include "tokenizer.h"
#include "update.h" #include "update.h"
#include <string.h> #include <cstring>
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using namespace FixConst; using namespace FixConst;
@ -31,7 +32,7 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
FixPairTracker::FixPairTracker(LAMMPS *lmp, int narg, char **arg) : FixPairTracker::FixPairTracker(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), nvalues(0), vector(NULL), array(NULL), pack_choice(NULL) Fix(lmp, narg, arg), nvalues(0), vector(nullptr), array(nullptr), pack_choice(nullptr)
{ {
if (narg < 3) error->all(FLERR, "Illegal fix pair/tracker command"); if (narg < 3) error->all(FLERR, "Illegal fix pair/tracker command");
local_flag = 1; local_flag = 1;
@ -140,8 +141,8 @@ FixPairTracker::FixPairTracker(LAMMPS *lmp, int narg, char **arg) :
nmax = 0; nmax = 0;
ncount = 0; ncount = 0;
vector = NULL; vector = nullptr;
array = NULL; array = nullptr;
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

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@ -46,7 +46,7 @@
#include "variable.h" #include "variable.h"
#include <cstring> #include <cstring>
#include <errno.h> #include <cerrno>
#include <cctype> #include <cctype>
#include <sys/stat.h> #include <sys/stat.h>
#include <unistd.h> #include <unistd.h>