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refactor loops using (auto var : container) syntax

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This commit is contained in:
Axel Kohlmeyer
2021-10-20 21:58:31 -04:00
parent 85433e8bd1
commit a0b25acf35
10 changed files with 50 additions and 47 deletions
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4
src/AWPMD/pair_awpmd_cut.cpp
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@ -246,8 +246,8 @@ void PairAWPMDCut::compute(int eflag, int vflag)
fi= new Vector_3[wpmd->ni];
// adding electrons
for (std::map<int,std::vector<int> >::iterator it=etmap.begin(); it!= etmap.end(); ++it) {
std::vector<int> &el=it->second;
for (auto & it : etmap) {
std::vector<int> &el=it.second;
if (!el.size()) // should not happen
continue;
int s=spin[el[0]] >0 ? 0 : 1;

6
src/EXTRA-FIX/fix_wall_ees.cpp
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@ -121,8 +121,10 @@ void FixWallEES::wall_particle(int m, int which, double coord)
double* shape = bonus[ellipsoid[i]].shape;;
MathExtra::quat_to_mat(bonus[ellipsoid[i]].quat,A);
MathExtra::transpose_matvec(A,nhat,tempvec);
for (int k = 0; k<3; k++) tempvec[k] *= shape[k];
for (int k = 0; k<3 ; k++) sigman2 += tempvec[k]*tempvec[k];
for (int k = 0; k<3; k++) {
tempvec[k] *= shape[k];
sigman2 += tempvec[k]*tempvec[k];
}
sigman = sqrt(sigman2);
if (delta <= sigman) {

14
src/EXTRA-FIX/fix_wall_region_ees.cpp
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@ -194,8 +194,10 @@ void FixWallRegionEES::post_force(int /*vflag*/)
nhat[(which+2)%3] = 0 ;
sn2 = 0 ;
MathExtra::transpose_matvec(A,nhat,tempvec);
for (int k = 0; k<3; k++) tempvec[k] *= shape[k];
for (int k = 0; k<3 ; k++) sn2 += tempvec[k]*tempvec[k];
for (int k = 0; k<3; k++) {
tempvec[k] *= shape[k];
sn2 += tempvec[k]*tempvec[k];
}
sn = sqrt(sn2);
tooclose[which] = sn;
}
@ -321,9 +323,11 @@ void FixWallRegionEES::ees(int m, int i)
sigman2 = 0.0;
MathExtra::transpose_matvec(A,nhat,tempvec);
for (int k = 0; k<3; k++) tempvec[k] *= shape[k];
for (int k = 0; k<3; k++) sigman2 += tempvec[k]*tempvec[k];
for (int k = 0; k<3; k++) SAn[k] = tempvec[k];
for (int k = 0; k<3; k++) {
tempvec[k] *= shape[k];
sigman2 += tempvec[k]*tempvec[k];
SAn[k] = tempvec[k];
}
sigman = sqrt(sigman2);
delta = fabs(region->contact[m].r);

10
src/KIM/kim_init.cpp
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@ -251,17 +251,15 @@ void KimInit::determine_model_type_and_units(char *model_name, char *user_units,
return;
} else if (unit_conversion_mode) {
KIM_Model_Destroy(&pkim);
int const num_systems = 5;
char const *const systems[num_systems] = {"metal", "real", "si", "cgs", "electron"};
for (int i = 0; i < num_systems; ++i) {
get_kim_unit_names(systems[i], lengthUnit, energyUnit, chargeUnit, temperatureUnit,
timeUnit, error);
const char * unit_systems[] = {"metal", "real", "si", "cgs", "electron"};
for (auto units : unit_systems) {
get_kim_unit_names(units, lengthUnit, energyUnit, chargeUnit, temperatureUnit, timeUnit, error);
kim_error = KIM_Model_Create(KIM_NUMBERING_zeroBased, lengthUnit, energyUnit, chargeUnit,
temperatureUnit, timeUnit, model_name, &units_accepted, &pkim);
if (units_accepted) {
logID = fmt::format("{}_Model", comm->me);
KIM_Model_SetLogID(pkim, logID.c_str());
*model_units = utils::strdup(systems[i]);
*model_units = utils::strdup(units);
return;
}
KIM_Model_Destroy(&pkim);

12
src/MANIFOLD/manifold_thylakoid.cpp
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@ -38,8 +38,8 @@ manifold_thylakoid::manifold_thylakoid( LAMMPS *lmp, int /*narg*/, char ** /*arg
manifold_thylakoid::~manifold_thylakoid()
{
for (std::size_t i = 0; i < parts.size(); ++i) {
delete parts[i];
for (auto & part : parts) {
delete part;
}
}
@ -73,11 +73,11 @@ void manifold_thylakoid::checkup()
if (comm->me == 0) {
fprintf(screen,"This is checkup of thylakoid %p\n", this);
fprintf(screen,"I have %ld parts. They are:\n", parts.size());
for (int i = 0; i < (int)parts.size(); ++i) {
for (auto & part : parts) {
fprintf(screen, "[%f, %f] x [%f, %f] x [%f, %f]\n",
parts[i]->xlo, parts[i]->xhi,
parts[i]->ylo, parts[i]->yhi,
parts[i]->zlo, parts[i]->zhi );
part->xlo, part->xhi,
part->ylo, part->yhi,
part->zlo, part->zhi );
}
fprintf(screen,"My params are:\n");
for (int i = 0; i < NPARAMS; ++i) {

4
src/MANYBODY/pair_airebo.cpp
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@ -3485,8 +3485,8 @@ void PairAIREBO::read_file(char *filename)
// global parameters
current_section = "global parameters";
for (int i = 0; i < (int)params.size(); i++) {
*params[i] = reader.next_double();
for (auto & param : params) {
*param = reader.next_double();
}

4
src/PLUGIN/plugin.cpp
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@ -464,8 +464,8 @@ namespace LAMMPS_NS
const lammpsplugin_t *plugin_get_info(int idx)
{
int i=0;
for (auto p=pluginlist.begin(); p != pluginlist.end(); ++p) {
if (i == idx) return &(*p);
for (auto & p : pluginlist) {
if (i == idx) return &p;
++i;
}
return nullptr;

3
src/REACTION/fix_bond_react.cpp
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@ -2239,8 +2239,7 @@ double FixBondReact::custom_constraint(std::string varstr)
}
evlstr.push_back(varstr.substr(prev3+1));
for (int i = 0; i < evlstr.size(); i++)
evlcat += evlstr[i];
for (auto & evl : evlstr) evlcat += evl;
char *cstr = utils::strdup(evlcat);
val = input->variable->compute_equal(cstr);

28
unittest/c-library/test_library_commands.cpp
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@ -54,14 +54,14 @@ TEST_F(LibraryCommands, from_file)
const char cont_file[] = "in.cont";
fp = fopen(demo_file, "w");
for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
fputs(demo_input[i], fp);
for (auto & inp : demo_input) {
fputs(inp, fp);
fputc('\n', fp);
}
fclose(fp);
fp = fopen(cont_file, "w");
for (unsigned int i = 0; i < sizeof(cont_input) / sizeof(char *); ++i) {
fputs(cont_input[i], fp);
for (auto & inp : cont_input) {
fputs(inp, fp);
fputc('\n', fp);
}
fclose(fp);
@ -84,8 +84,8 @@ TEST_F(LibraryCommands, from_line)
{
EXPECT_EQ(lammps_get_natoms(lmp), 0);
if (!verbose) ::testing::internal::CaptureStdout();
for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
lammps_command(lmp, demo_input[i]);
for (auto & inp : demo_input) {
lammps_command(lmp, inp);
}
if (!verbose) ::testing::internal::GetCapturedStdout();
EXPECT_EQ(lammps_get_natoms(lmp), 1);
@ -105,12 +105,12 @@ TEST_F(LibraryCommands, from_string)
{
std::string cmds("");
for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
cmds += demo_input[i];
for (auto & inp : demo_input) {
cmds += inp;
cmds += "\n";
}
for (unsigned int i = 0; i < sizeof(cont_input) / sizeof(char *); ++i) {
cmds += cont_input[i];
for (auto & inp : cont_input) {
cmds += inp;
cmds += "\n";
}
EXPECT_EQ(lammps_get_natoms(lmp), 0);
@ -125,12 +125,12 @@ TEST_F(LibraryCommands, from_string)
if (!verbose) ::testing::internal::GetCapturedStdout();
cmds.clear();
for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
cmds += demo_input[i];
for (auto & inp : demo_input) {
cmds += inp;
cmds += "\r\n";
}
for (unsigned int i = 0; i < sizeof(cont_input) / sizeof(char *); ++i) {
cmds += cont_input[i];
for (auto & inp : cont_input) {
cmds += inp;
cmds += "\r\n";
}
EXPECT_EQ(lammps_get_natoms(lmp), 0);

12
unittest/cplusplus/test_input_class.cpp
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@ -60,14 +60,14 @@ TEST_F(Input_commands, from_file)
const char cont_file[] = "in.cont";
fp = fopen(demo_file, "w");
for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
fputs(demo_input[i], fp);
for (auto & inp : demo_input) {
fputs(inp, fp);
fputc('\n', fp);
}
fclose(fp);
fp = fopen(cont_file, "w");
for (unsigned int i = 0; i < sizeof(cont_input) / sizeof(char *); ++i) {
fputs(cont_input[i], fp);
for (auto & inp : cont_input) {
fputs(inp, fp);
fputc('\n', fp);
}
fclose(fp);
@ -84,8 +84,8 @@ TEST_F(Input_commands, from_file)
TEST_F(Input_commands, from_line)
{
EXPECT_EQ(lmp->atom->natoms, 0);
for (unsigned int i = 0; i < sizeof(demo_input) / sizeof(char *); ++i) {
lmp->input->one(demo_input[i]);
for (auto & inp : demo_input) {
lmp->input->one(inp);
}
EXPECT_EQ(lmp->atom->natoms, 1);
};