git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-12-16 21:15:49 +00:00
parent 70316a8f77
commit 4f48544d41
61 changed files with 108 additions and 104 deletions

View File

@ -460,7 +460,7 @@ double PairLJClass2CoulLong::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairLJClass2CoulLong::extract(char *str, int &dim)
void *PairLJClass2CoulLong::extract(const char *str, int &dim)
{
dim = 0;
if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;

View File

@ -38,7 +38,7 @@ class PairLJClass2CoulLong : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_lj_global;

View File

@ -489,7 +489,7 @@ double PairBornCoulLong::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairBornCoulLong::extract(char *str, int &dim)
void *PairBornCoulLong::extract(const char *str, int &dim)
{
dim = 0;
if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;

View File

@ -38,7 +38,7 @@ class PairBornCoulLong : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_lj_global;

View File

@ -459,7 +459,7 @@ double PairBuckCoulLong::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairBuckCoulLong::extract(char *str, int &dim)
void *PairBuckCoulLong::extract(const char *str, int &dim)
{
dim = 0;
if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;

View File

@ -38,7 +38,7 @@ class PairBuckCoulLong : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_lj_global;

View File

@ -556,7 +556,7 @@ double PairCoulLong::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairCoulLong::extract(char *str, int &dim)
void *PairCoulLong::extract(const char *str, int &dim)
{
if (strcmp(str,"cut_coul") == 0) {
dim = 0;

View File

@ -38,7 +38,7 @@ class PairCoulLong : public Pair {
virtual void write_restart_settings(FILE *);
virtual void read_restart_settings(FILE *);
virtual double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_coul,cut_coulsq;

View File

@ -1181,7 +1181,7 @@ double PairLJCharmmCoulLong::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairLJCharmmCoulLong::extract(char *str, int &dim)
void *PairLJCharmmCoulLong::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"lj14_1") == 0) return (void *) lj14_1;

View File

@ -44,7 +44,7 @@ class PairLJCharmmCoulLong : public Pair {
void compute_inner();
void compute_middle();
void compute_outer(int, int);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
int implicit;

View File

@ -1122,7 +1122,7 @@ double PairLJCutCoulLong::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairLJCutCoulLong::extract(char *str, int &dim)
void *PairLJCutCoulLong::extract(const char *str, int &dim)
{
dim = 0;
if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;

View File

@ -43,7 +43,7 @@ class PairLJCutCoulLong : public Pair {
void compute_inner();
void compute_middle();
void compute_outer(int, int);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_lj_global;

View File

@ -503,7 +503,7 @@ void PairLJCutCoulLongTIP4P::find_M(int i, int &iH1, int &iH2, double *xM)
/* ---------------------------------------------------------------------- */
void *PairLJCutCoulLongTIP4P::extract(char *str, int &dim)
void *PairLJCutCoulLongTIP4P::extract(const char *str, int &dim)
{
dim = 0;
if (strcmp(str,"qdist") == 0) return (void *) &qdist;

View File

@ -32,7 +32,7 @@ class PairLJCutCoulLongTIP4P : public PairLJCutCoulLong {
void init_style();
void write_restart_settings(FILE *fp);
void read_restart_settings(FILE *fp);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
int typeH,typeO; // atom types of TIP4P water H and O atoms

View File

@ -67,8 +67,8 @@ FixBondSwap::FixBondSwap(LAMMPS *lmp, int narg, char **arg) :
char **newarg = new char*[3];
newarg[0] = id_temp;
newarg[1] = "all";
newarg[2] = "temp";
newarg[1] = (char *) "all";
newarg[2] = (char *) "temp";
modify->add_compute(3,newarg);
delete [] newarg;
tflag = 1;

View File

@ -36,10 +36,11 @@ using namespace LAMMPS_NS;
enum{FCC,BCC,HCP,DIM,DIAMOND,B1,C11,L12,B2};
int nkeywords = 21;
char *keywords[] = {"Ec","alpha","rho0","delta","lattce",
"attrac","repuls","nn2","Cmin","Cmax","rc","delr",
"augt1","gsmooth_factor","re","ialloy","mixture_ref_t",
"erose_form","zbl","emb_lin_neg","bkgd_dyn"};
const char *keywords[] = {"Ec","alpha","rho0","delta","lattce",
"attrac","repuls","nn2","Cmin","Cmax","rc","delr",
"augt1","gsmooth_factor","re","ialloy",
"mixture_ref_t","erose_form","zbl",
"emb_lin_neg","bkgd_dyn"};
/* ---------------------------------------------------------------------- */

View File

@ -493,7 +493,7 @@ double PairLJCharmmCoulCharmm::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairLJCharmmCoulCharmm::extract(char *str, int &dim)
void *PairLJCharmmCoulCharmm::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"lj14_1") == 0) return (void *) lj14_1;

View File

@ -38,7 +38,7 @@ class PairLJCharmmCoulCharmm : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
virtual double single(int, int, int, int, double, double, double, double &);
virtual void *extract(char *, int &);
virtual void *extract(const char *, int &);
protected:
int implicit;

View File

@ -69,7 +69,8 @@ void ComputeEventDisplace::init()
if (id_event != NULL) {
int ifix = modify->find_fix(id_event);
if (ifix < 0) error->all(FLERR,"Could not find compute event/displace fix ID");
if (ifix < 0) error->all(FLERR,
"Could not find compute event/displace fix ID");
fix_event = (FixEvent*) modify->fix[ifix];
if (strcmp(fix_event->style,"EVENT/PRD") != 0 &&
@ -145,7 +146,7 @@ double ComputeEventDisplace::compute_scalar()
/* ---------------------------------------------------------------------- */
void ComputeEventDisplace::reset_extra_compute_fix(char *id_new)
void ComputeEventDisplace::reset_extra_compute_fix(const char *id_new)
{
delete [] id_event;
id_event = NULL;

View File

@ -30,7 +30,7 @@ class ComputeEventDisplace : public Compute {
~ComputeEventDisplace();
void init();
double compute_scalar();
void reset_extra_compute_fix(char *);
void reset_extra_compute_fix(const char *);
private:
int triclinic;

View File

@ -768,12 +768,12 @@ void PRD::options(int narg, char **arg)
maxeval = 50;
temp_flag = 0;
char *str = "geom";
char *str = (char *) "geom";
int n = strlen(str) + 1;
loop_setting = new char[n];
strcpy(loop_setting,str);
str = "gaussian";
str = (char *) "gaussian";
n = strlen(str) + 1;
dist_setting = new char[n];
strcpy(dist_setting,str);

View File

@ -932,16 +932,16 @@ void TAD::compute_tlo(int ievent)
// update first event
char* statstr = "D ";
char* statstr = (char *) "D ";
if (ievent == 0) {
deltfirst = deltlo;
event_first = ievent;
statstr = "DF";
statstr = (char *) "DF";
} else if (deltlo < deltfirst) {
deltfirst = deltlo;
event_first = ievent;
statstr = "DF";
statstr = (char *) "DF";
}
// first-replica output about each event

View File

@ -175,8 +175,8 @@ FixMSST::FixMSST(LAMMPS *lmp, int narg, char **arg) :
char **newarg = new char*[3];
newarg[0] = id_temp;
newarg[1] = "all";
newarg[2] = "temp";
newarg[1] = (char *) "all";
newarg[2] = (char *) "temp";
modify->add_compute(3,newarg);
delete [] newarg;
tflag = 1;
@ -192,8 +192,8 @@ FixMSST::FixMSST(LAMMPS *lmp, int narg, char **arg) :
newarg = new char*[4];
newarg[0] = id_press;
newarg[1] = "all";
newarg[2] = "pressure";
newarg[1] = (char *) "all";
newarg[2] = (char *) "pressure";
newarg[3] = id_temp;
modify->add_compute(4,newarg);
delete [] newarg;

View File

@ -44,7 +44,8 @@ Compute::Compute(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
for (int i = 0; i < n-1; i++)
if (!isalnum(id[i]) && id[i] != '_')
error->all(FLERR,"Compute ID must be alphanumeric or underscore characters");
error->all(FLERR,
"Compute ID must be alphanumeric or underscore characters");
igroup = group->find(arg[1]);
if (igroup == -1) error->all(FLERR,"Could not find compute group ID");
@ -135,9 +136,10 @@ void Compute::reset_extra_dof()
/* ---------------------------------------------------------------------- */
void Compute::reset_extra_compute_fix(char *)
void Compute::reset_extra_compute_fix(const char *)
{
error->all(FLERR,"Compute does not allow an extra compute or fix to be reset");
error->all(FLERR,
"Compute does not allow an extra compute or fix to be reset");
}
/* ----------------------------------------------------------------------

View File

@ -103,7 +103,7 @@ class Compute : protected Pointers {
virtual void restore_bias(int, double *) {}
virtual void restore_bias_all() {}
virtual void reset_extra_compute_fix(char *);
virtual void reset_extra_compute_fix(const char *);
void addstep(bigint);
int matchstep(bigint);

View File

@ -277,7 +277,7 @@ void ComputePressure::virial_compute(int n, int ndiag)
/* ---------------------------------------------------------------------- */
void ComputePressure::reset_extra_compute_fix(char *id_new)
void ComputePressure::reset_extra_compute_fix(const char *id_new)
{
delete [] id_temp;
int n = strlen(id_new) + 1;

View File

@ -31,7 +31,7 @@ class ComputePressure : public Compute {
void init();
double compute_scalar();
void compute_vector();
void reset_extra_compute_fix(char *);
void reset_extra_compute_fix(const char *);
protected:
double boltz,nktv2p,inv_volume;

View File

@ -74,13 +74,13 @@ void DumpAtom::init_style()
// setup column string
if (scale_flag == 0 && image_flag == 0)
columns = "id type x y z";
columns = (char *) "id type x y z";
else if (scale_flag == 0 && image_flag == 1)
columns = "id type x y z ix iy iz";
columns = (char *) "id type x y z ix iy iz";
else if (scale_flag == 1 && image_flag == 0)
columns = "id type xs ys zs";
columns = (char *) "id type xs ys zs";
else if (scale_flag == 1 && image_flag == 1)
columns = "id type xs ys zs ix iy iz";
columns = (char *) "id type xs ys zs ix iy iz";
// setup function ptrs

View File

@ -1833,9 +1833,9 @@ double *DumpImage::value2color(double value)
search user-defined color names first, then the list of NCOLORS names
------------------------------------------------------------------------- */
double *DumpImage::color2rgb(char *color)
double *DumpImage::color2rgb(const char *color)
{
static char *name[NCOLORS] = {
static const char *name[NCOLORS] = {
"aliceblue",
"antiquewhite",
"aqua",
@ -2136,8 +2136,7 @@ double *DumpImage::color2rgb(char *color)
double *DumpImage::element2color(char *element)
{
static char *name[NELEMENTS] = {
static const char *name[NELEMENTS] = {
"H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne",
"Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca",
"Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn",
@ -2276,7 +2275,7 @@ double *DumpImage::element2color(char *element)
double DumpImage::element2diam(char *element)
{
static char *name[NELEMENTS] = {
static const char *name[NELEMENTS] = {
"H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne",
"Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca",
"Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn",

View File

@ -152,7 +152,7 @@ class DumpImage : public DumpCustom {
void write_PPM();
double *value2color(double);
double *color2rgb(char *);
double *color2rgb(const char *);
double *element2color(char *);
double element2diam(char *);

View File

@ -88,7 +88,7 @@ DumpLocal::DumpLocal(LAMMPS *lmp, int narg, char **arg) :
// setup default label string
char *str = "ENTRIES";
char *str = (char *) "ENTRIES";
n = strlen(str) + 1;
label = new char[n];
strcpy(label,str);

View File

@ -129,7 +129,7 @@ void Error::warning(const char *file, int line, const char *str, int logflag)
write message to screen and logfile (if logflag is set)
------------------------------------------------------------------------- */
void Error::message(const char *file, int line, char *str, int logflag)
void Error::message(const char *file, int line, const char *str, int logflag)
{
if (screen) fprintf(screen,"%s (%s:%d)\n",str,file,line);
if (logflag && logfile) fprintf(logfile,"%s (%s:%d)\n",str,file,line);

View File

@ -28,7 +28,7 @@ class Error : protected Pointers {
void all(const char *, int, const char *);
void one(const char *, int, const char *);
void warning(const char *, int, const char *, int = 1);
void message(const char *, int, char *, int = 1);
void message(const char *, int, const char *, int = 1);
void done();
};

View File

@ -1167,9 +1167,9 @@ void Input::package()
} else if (strcmp(arg[0],"gpu") == 0) {
char **fixarg = new char*[2+narg];
fixarg[0] = "package_gpu";
fixarg[1] = "all";
fixarg[2] = "GPU";
fixarg[0] = (char *) "package_gpu";
fixarg[1] = (char *) "all";
fixarg[2] = (char *) "GPU";
for (int i = 1; i < narg; i++) fixarg[i+2] = arg[i];
modify->allow_early_fix = 1;
modify->add_fix(2+narg,fixarg,NULL);
@ -1178,9 +1178,9 @@ void Input::package()
} else if (strcmp(arg[0],"omp") == 0) {
char **fixarg = new char*[2+narg];
fixarg[0] = "package_omp";
fixarg[1] = "all";
fixarg[2] = "OMP";
fixarg[0] = (char *) "package_omp";
fixarg[1] = (char *) "all";
fixarg[2] = (char *) "OMP";
for (int i = 1; i < narg; i++) fixarg[i+2] = arg[i];
modify->allow_early_fix = 1;
modify->add_fix(2+narg,fixarg,NULL);

View File

@ -73,7 +73,7 @@ void KSpace::modify_params(int narg, char **arg)
/* ---------------------------------------------------------------------- */
void *KSpace::extract(char *str)
void *KSpace::extract(const char *str)
{
if (strcmp(str,"scale") == 0) return (void *) &scale;
return NULL;

View File

@ -29,7 +29,7 @@ class KSpace : protected Pointers {
KSpace(class LAMMPS *, int, char **);
virtual ~KSpace() {}
void modify_params(int, char **);
void *extract(char *);
void *extract(const char *);
virtual void init() = 0;
virtual void setup() = 0;

View File

@ -750,15 +750,15 @@ double Min::fnorm_inf()
char *Min::stopstrings(int n)
{
char *strings[] = {"max iterations",
"max force evaluations",
"energy tolerance",
"force tolerance",
"search direction is not downhill",
"linesearch alpha is zero",
"forces are zero",
"quadratic factors are zero",
"trust region too small",
"HFTN minimizer error"};
return strings[n];
const char *strings[] = {"max iterations",
"max force evaluations",
"energy tolerance",
"force tolerance",
"search direction is not downhill",
"linesearch alpha is zero",
"forces are zero",
"quadratic factors are zero",
"trust region too small",
"HFTN minimizer error"};
return (char *) strings[n];
}

View File

@ -839,7 +839,7 @@ void Modify::modify_compute(int narg, char **arg)
delete a Compute from list of Computes
------------------------------------------------------------------------- */
void Modify::delete_compute(char *id)
void Modify::delete_compute(const char *id)
{
int icompute = find_compute(id);
if (icompute < 0) error->all(FLERR,"Could not find compute ID to delete");
@ -856,7 +856,7 @@ void Modify::delete_compute(char *id)
return index of compute or -1 if not found
------------------------------------------------------------------------- */
int Modify::find_compute(char *id)
int Modify::find_compute(const char *id)
{
int icompute;
for (icompute = 0; icompute < ncompute; icompute++)

View File

@ -88,8 +88,8 @@ class Modify : protected Pointers {
void add_compute(int, char **, char *suffix = NULL);
void modify_compute(int, char **);
void delete_compute(char *);
int find_compute(char *);
void delete_compute(const char *);
int find_compute(const char *);
void clearstep_compute();
void addstep_compute(bigint);
void addstep_compute_all(bigint);

View File

@ -120,7 +120,7 @@ class Pair : protected Pointers {
// specific child-class methods for certain Pair styles
virtual void *extract(char *, int &) {return NULL;}
virtual void *extract(const char *, int &) {return NULL;}
virtual void swap_eam(double *, double **) {}
virtual void reset_dt() {}
virtual void min_xf_pointers(int, double **, double **) {}

View File

@ -399,7 +399,7 @@ double PairBorn::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairBorn::extract(char *str, int &dim)
void *PairBorn::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"a") == 0) return (void *) a;

View File

@ -38,7 +38,7 @@ class PairBorn : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_global;

View File

@ -369,7 +369,7 @@ double PairBuck::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairBuck::extract(char *str, int &dim)
void *PairBuck::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"a") == 0) return (void *) a;

View File

@ -37,7 +37,7 @@ class PairBuck : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_global;

View File

@ -300,7 +300,7 @@ double PairCoulCut::single(int i, int j, int itype, int jtype,
/* ---------------------------------------------------------------------- */
void *PairCoulCut::extract(char *str, int &dim)
void *PairCoulCut::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"scale") == 0) return (void *) scale;

View File

@ -38,7 +38,7 @@ class PairCoulCut : public Pair {
virtual void write_restart_settings(FILE *);
virtual void read_restart_settings(FILE *);
virtual double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_global;

View File

@ -327,7 +327,7 @@ double PairGauss::single(int i, int j, int itype, int jtype, double rsq,
/* ---------------------------------------------------------------------- */
void *PairGauss::extract(char *str, int &dim)
void *PairGauss::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"a") == 0) return (void *) a;

View File

@ -37,7 +37,7 @@ class PairGauss : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_global;

View File

@ -676,7 +676,7 @@ double PairHybrid::memory_usage()
for cut_coul, insure all non-NULL results are equal since required by Kspace
------------------------------------------------------------------------- */
void *PairHybrid::extract(char *str, int &dim)
void *PairHybrid::extract(const char *str, int &dim)
{
void *cutptr = NULL;
void *ptr;

View File

@ -47,7 +47,7 @@ class PairHybrid : public Pair {
void compute_inner();
void compute_middle();
void compute_outer(int, int);
void *extract(char *, int &);
void *extract(const char *, int &);
void reset_dt();
int check_ijtype(int, int, char *);

View File

@ -696,7 +696,7 @@ double PairLJCut::single(int i, int j, int itype, int jtype, double rsq,
/* ---------------------------------------------------------------------- */
void *PairLJCut::extract(char *str, int &dim)
void *PairLJCut::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"epsilon") == 0) return (void *) epsilon;

View File

@ -39,7 +39,7 @@ class PairLJCut : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
void compute_inner();
void compute_middle();

View File

@ -299,7 +299,7 @@ double PairSoft::single(int i, int j, int itype, int jtype, double rsq,
/* ---------------------------------------------------------------------- */
void *PairSoft::extract(char *str, int &dim)
void *PairSoft::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"a") == 0) return (void *) prefactor;

View File

@ -40,7 +40,7 @@ class PairSoft : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
double cut_global;

View File

@ -947,7 +947,7 @@ double PairTable::single(int i, int j, int itype, int jtype, double rsq,
no way to know which tables are active since pair::init() not yet called
------------------------------------------------------------------------- */
void *PairTable::extract(char *str, int &dim)
void *PairTable::extract(const char *str, int &dim)
{
if (strcmp(str,"cut_coul") != 0) return NULL;
if (ntables == 0) error->all(FLERR,"All pair coeffs are not set");
@ -955,7 +955,8 @@ void *PairTable::extract(char *str, int &dim)
double cut_coul = tables[0].cut;
for (int m = 1; m < ntables; m++)
if (tables[m].cut != cut_coul)
error->all(FLERR,"Pair table cutoffs must all be equal to use with KSpace");
error->all(FLERR,
"Pair table cutoffs must all be equal to use with KSpace");
dim = 0;
return &tables[0].cut;
}

View File

@ -38,7 +38,7 @@ class PairTable : public Pair {
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *, int &);
void *extract(const char *, int &);
protected:
int tabstyle,tablength;

View File

@ -325,7 +325,7 @@ void ReadData::header(int flag)
// customize for new sections
char *section_keywords[NSECTIONS] =
const char *section_keywords[NSECTIONS] =
{"Atoms","Velocities","Ellipsoids","Lines","Triangles",
"Bonds","Angles","Dihedrals","Impropers",
"Masses","Pair Coeffs","Bond Coeffs","Angle Coeffs",
@ -604,7 +604,7 @@ void ReadData::velocities()
to find atoms, must build atom map if not a molecular system
------------------------------------------------------------------------- */
void ReadData::bonus(bigint nbonus, AtomVec *ptr, char *type)
void ReadData::bonus(bigint nbonus, AtomVec *ptr, const char *type)
{
int i,m,nchunk;
@ -1426,7 +1426,7 @@ void ReadData::skip_lines(int n)
if dupflag, duplicate 1st word, so pair_coeff "2" becomes "2 2"
------------------------------------------------------------------------- */
void ReadData::parse_coeffs(char *line, char *addstr, int dupflag)
void ReadData::parse_coeffs(char *line, const char *addstr, int dupflag)
{
char *ptr;
if (ptr = strchr(line,'#')) *ptr = '\0';
@ -1439,9 +1439,9 @@ void ReadData::parse_coeffs(char *line, char *addstr, int dupflag)
arg = (char **)
memory->srealloc(arg,maxarg*sizeof(char *),"read_data:arg");
}
if (addstr && narg == 1 && !islower(word[0])) arg[narg++] = addstr;
if (addstr && narg == 1 && !islower(word[0])) arg[narg++] = (char *) addstr;
arg[narg++] = word;
if (addstr && narg == 2 && islower(word[0])) arg[narg++] = addstr;
if (addstr && narg == 2 && islower(word[0])) arg[narg++] = (char *) addstr;
if (dupflag && narg == 1) arg[narg++] = word;
word = strtok(NULL," \t\n\r\f");
}

View File

@ -51,11 +51,11 @@ class ReadData : protected Pointers {
void header(int);
void parse_keyword(int, int);
void skip_lines(int);
void parse_coeffs(char *, char *, int);
void parse_coeffs(char *, const char *, int);
void atoms();
void velocities();
void bonus(bigint, class AtomVec *, char *);
void bonus(bigint, class AtomVec *, const char *);
void bonds();
void angles();

View File

@ -134,7 +134,7 @@ Thermo::Thermo(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
// format strings
char *bigint_format = BIGINT_FORMAT;
char *bigint_format = (char *) BIGINT_FORMAT;
char *fformat_multi = (char *) "---------------- Step %%8%s ----- "
"CPU = %%11.4f (sec) ----------------";

View File

@ -114,7 +114,7 @@ void Velocity::command(int narg, char **arg)
initialization of defaults before calling velocity methods externaly
------------------------------------------------------------------------- */
void Velocity::init_external(char *extgroup)
void Velocity::init_external(const char *extgroup)
{
igroup = group->find(extgroup);
if (igroup == -1) error->all(FLERR,"Could not find velocity group ID");

View File

@ -28,7 +28,7 @@ class Velocity : protected Pointers {
public:
Velocity(class LAMMPS *);
void command(int, char **);
void init_external(char *);
void init_external(const char *);
void options(int, char **);
void create(double, int);