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use qualified auto

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This commit is contained in:
Axel Kohlmeyer
2025-06-25 00:46:11 -04:00
parent d4ba431117
commit 9fbb49f401
2 changed files with 53 additions and 53 deletions
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8
src/utils.cpp
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@ -927,7 +927,7 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
if (gridid[0][0] == 'c') {
auto compute = lmp->modify->get_compute_by_id(gridid[0].substr(2));
auto *compute = lmp->modify->get_compute_by_id(gridid[0].substr(2));
if (compute && compute->pergrid_flag) {
int dim = 0;
@ -946,7 +946,7 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
} else if (gridid[0][0] == 'f') {
auto fix = lmp->modify->get_fix_by_id(gridid[0].substr(2));
auto *fix = lmp->modify->get_fix_by_id(gridid[0].substr(2));
if (fix && fix->pergrid_flag) {
int dim = 0;
@ -1003,7 +1003,7 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
// compute
if (word[0] == 'c') {
auto compute = lmp->modify->get_compute_by_id(id);
auto *compute = lmp->modify->get_compute_by_id(id);
// check for global vector/array, peratom array, local array
@ -1026,7 +1026,7 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
// fix
} else if (word[0] == 'f') {
auto fix = lmp->modify->get_fix_by_id(id);
auto *fix = lmp->modify->get_fix_by_id(id);
// check for global vector/array, peratom array, local array

98
src/variable.cpp
View File

@ -679,7 +679,7 @@ void Variable::set(int narg, char **arg)
void Variable::set(const std::string &setcmd)
{
std::vector<std::string> args = utils::split_words(setcmd);
auto newarg = new char*[args.size()];
auto *newarg = new char*[args.size()];
int i=0;
for (const auto &arg : args) {
newarg[i++] = (char *)arg.c_str();
@ -695,7 +695,7 @@ void Variable::set(const std::string &setcmd)
void Variable::set(char *name, int narg, char **arg)
{
auto newarg = new char*[2+narg];
auto *newarg = new char*[2+narg];
newarg[0] = name;
newarg[1] = (char *) "index";
for (int i = 0; i < narg; i++) newarg[2+i] = arg[i];
@ -1518,7 +1518,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
number[n] = '\0';
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = std::stod(number);
treestack[ntreestack++] = newtree;
@ -1735,7 +1735,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
if (compute->size_vector == 0)
print_var_error(FLERR,"Variable formula compute vector is zero length",ivar);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VECTORARRAY;
newtree->array = compute->vector;
newtree->nvector = compute->size_vector;
@ -1765,7 +1765,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
if (compute->size_array_rows == 0)
print_var_error(FLERR,"Variable formula compute array has zero rows",ivar);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VECTORARRAY;
newtree->array = &compute->array[0][index1-1];
newtree->nvector = compute->size_array_rows;
@ -1796,7 +1796,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
compute->invoked_flag |= Compute::INVOKED_PERATOM;
}
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = ATOMARRAY;
newtree->array = compute->vector_atom;
newtree->nstride = 1;
@ -1821,7 +1821,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
compute->invoked_flag |= Compute::INVOKED_PERATOM;
}
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = ATOMARRAY;
newtree->array = nullptr;
if (compute->array_atom)
@ -1999,7 +1999,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
for (int m = 0; m < nvec; m++)
vec[m] = fix->compute_vector(m);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VECTORARRAY;
newtree->array = vec;
newtree->nvector = nvec;
@ -2028,7 +2028,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
for (int m = 0; m < nvec; m++)
vec[m] = fix->compute_array(m,index1-1);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VECTORARRAY;
newtree->array = vec;
newtree->nvector = nvec;
@ -2056,7 +2056,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
print_var_error(FLERR,"Fix in variable not computed at compatible time"
+ utils::errorurl(7), ivar);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = ATOMARRAY;
newtree->array = fix->vector_atom;
newtree->nstride = 1;
@ -2077,7 +2077,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
print_var_error(FLERR,"Fix in variable not computed at compatible time"
+ utils::errorurl(7), ivar);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = ATOMARRAY;
newtree->array = nullptr;
if (fix->array_atom)
@ -2129,7 +2129,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
value1 = dvalue[jvar];
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value1;
treestack[ntreestack++] = newtree;
@ -2146,7 +2146,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
if (!utils::is_double(var))
print_var_error(FLERR,"Non-numeric variable value in variable formula",jvar);
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = std::stod(var);
treestack[ntreestack++] = newtree;
@ -2165,7 +2165,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
double *vec;
int nvec = compute_vector(jvar,&vec);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VECTORARRAY;
newtree->array = vec;
newtree->nvector = nvec;
@ -2196,7 +2196,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
if (treetype == VECTOR)
print_var_error(FLERR,"Atomfile-style variable in vector-style variable formula",jvar);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = ATOMARRAY;
newtree->array = reader[jvar]->fixstore->vstore;
newtree->nstride = 1;
@ -2222,7 +2222,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
int m = index; // convert from tagint to int
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = vec[m-1];
treestack[ntreestack++] = newtree;
@ -2296,7 +2296,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
if (nbracket == 0) {
if (cols_custom == 0) {
auto newtree = new Tree();
auto *newtree = new Tree();
treestack[ntreestack++] = newtree;
if (type_custom == 0) {
newtree->type = INTARRAY;
@ -2331,7 +2331,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
if (index1 <= 0 || index1 > cols_custom)
print_var_error(FLERR,fmt::format("Invalid custom atom property reference {} in variable formula",word),
ivar);
auto newtree = new Tree();
auto *newtree = new Tree();
treestack[ntreestack++] = newtree;
if (type_custom == 0) {
newtree->type = INTARRAY;
@ -2422,7 +2422,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
} else if (constants.find(word) != constants.end()) {
value1 = constants[word];
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value1;
treestack[ntreestack++] = newtree;
@ -2442,7 +2442,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
print_var_error(FLERR,fmt::format("Invalid thermo keyword '{}' in variable formula",
word),ivar);
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value1;
treestack[ntreestack++] = newtree;
@ -2519,7 +2519,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
opprevious = opstack[--nopstack];
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = opprevious;
if ((opprevious == UNARY) || (opprevious == NOT)) {
newtree->first = treestack[--ntreestack];
@ -4277,7 +4277,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
double masstotal = group->mass(igroup);
group->xcm(igroup,masstotal,xcm);
} else if (narg == 3) {
auto region = region_function(args[2],ivar);
auto *region = region_function(args[2],ivar);
double masstotal = group->mass(igroup,region);
group->xcm(igroup,masstotal,xcm,region);
} else print_var_error(FLERR,group_errmesg,ivar);
@ -4293,7 +4293,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
double masstotal = group->mass(igroup);
group->vcm(igroup,masstotal,vcm);
} else if (narg == 3) {
auto region = region_function(args[2],ivar);
auto *region = region_function(args[2],ivar);
double masstotal = group->mass(igroup,region);
group->vcm(igroup,masstotal,vcm,region);
} else print_var_error(FLERR,group_errmesg,ivar);
@ -4334,7 +4334,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
group->xcm(igroup,masstotal,xcm);
value = group->gyration(igroup,masstotal,xcm);
} else if (narg == 2) {
auto region = region_function(args[1],ivar);
auto *region = region_function(args[1],ivar);
double masstotal = group->mass(igroup,region);
group->xcm(igroup,masstotal,xcm,region);
value = group->gyration(igroup,masstotal,xcm,region);
@ -4353,7 +4353,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
group->xcm(igroup,masstotal,xcm);
group->angmom(igroup,xcm,lmom);
} else if (narg == 3) {
auto region = region_function(args[2],ivar);
auto *region = region_function(args[2],ivar);
double masstotal = group->mass(igroup,region);
group->xcm(igroup,masstotal,xcm,region);
group->angmom(igroup,xcm,lmom,region);
@ -4371,7 +4371,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
group->xcm(igroup,masstotal,xcm);
group->torque(igroup,xcm,tq);
} else if (narg == 3) {
auto region = region_function(args[2],ivar);
auto *region = region_function(args[2],ivar);
double masstotal = group->mass(igroup,region);
group->xcm(igroup,masstotal,xcm,region);
group->torque(igroup,xcm,tq,region);
@ -4389,7 +4389,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
group->xcm(igroup,masstotal,xcm);
group->inertia(igroup,xcm,inertia);
} else if (narg == 3) {
auto region = region_function(args[2],ivar);
auto *region = region_function(args[2],ivar);
double masstotal = group->mass(igroup,region);
group->xcm(igroup,masstotal,xcm,region);
group->inertia(igroup,xcm,inertia,region);
@ -4412,7 +4412,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
group->inertia(igroup,xcm,inertia);
group->omega(angmom,inertia,omega);
} else if (narg == 3) {
auto region = region_function(args[2],ivar);
auto *region = region_function(args[2],ivar);
double masstotal = group->mass(igroup,region);
group->xcm(igroup,masstotal,xcm,region);
group->angmom(igroup,xcm,angmom,region);
@ -4432,7 +4432,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -4445,7 +4445,7 @@ int Variable::group_function(char *word, char *contents, Tree **tree, Tree **tre
Region *Variable::region_function(char *id, int ivar)
{
auto region = domain->get_region_by_id(id);
auto *region = domain->get_region_by_id(id);
if (!region)
print_var_error(FLERR, fmt::format("Region {} in variable formula does not exist", id), ivar);
@ -4772,7 +4772,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
for (int m = 0; m < nvec; m++)
newvec[m] = unsorted[m];
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VECTORARRAY;
newtree->array = newvec;
newtree->nvector = nvec;
@ -4801,7 +4801,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -4820,7 +4820,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
if (igroup == -1)
print_var_error(FLERR,"Group ID in variable formula does not exist",ivar);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = GMASK;
newtree->ivalue = group->bitmask[igroup];
treestack[ntreestack++] = newtree;
@ -4831,10 +4831,10 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
if (narg != 1)
print_var_error(FLERR,"Invalid special function in variable formula",ivar);
auto region = region_function(args[0],ivar);
auto *region = region_function(args[0],ivar);
region->prematch();
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = RMASK;
newtree->region = region;
treestack[ntreestack++] = newtree;
@ -4848,10 +4848,10 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
int igroup = group->find(args[0]);
if (igroup == -1)
print_var_error(FLERR,"Group ID in variable formula does not exist",ivar);
auto region = region_function(args[1],ivar);
auto *region = region_function(args[1],ivar);
region->prematch();
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = GRMASK;
newtree->ivalue = group->bitmask[igroup];
newtree->region = region;
@ -4880,7 +4880,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
if (done) remove(ivar);
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -4901,7 +4901,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
int done = reader[ivar]->read_peratom();
if (done) remove(ivar);
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = ATOMARRAY;
newtree->array = result;
newtree->nstride = 1;
@ -4921,7 +4921,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -4934,7 +4934,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -4952,7 +4952,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -4966,7 +4966,7 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -5018,7 +5018,7 @@ int Variable::feature_function(char *word, char *contents, Tree **tree, Tree **t
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -5034,7 +5034,7 @@ int Variable::feature_function(char *word, char *contents, Tree **tree, Tree **t
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -5050,7 +5050,7 @@ int Variable::feature_function(char *word, char *contents, Tree **tree, Tree **t
// save value in tree or on argstack
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -5135,7 +5135,7 @@ void Variable::peratom2global(int flag, char *word, double *vector, int nstride,
MPI_Allreduce(&mine,&value,1,MPI_DOUBLE,MPI_SUM,world);
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -5178,7 +5178,7 @@ void Variable::custom2global(int *ivector, double *dvector, int nstride, tagint
MPI_Allreduce(&mine,&value,1,MPI_DOUBLE,MPI_SUM,world);
if (tree) {
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
@ -5225,7 +5225,7 @@ void Variable::atom_vector(char *word, Tree **tree, Tree **treestack, int &ntree
if (tree == nullptr)
error->all(FLERR,"Atom vector in equal-style variable formula");
auto newtree = new Tree();
auto *newtree = new Tree();
newtree->type = ATOMARRAY;
newtree->nstride = 3;
treestack[ntreestack++] = newtree;