use references when looping over fixes from list
This commit is contained in:
@ -481,12 +481,12 @@ void PairGranHookeHistory::init_style()
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int itype;
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int itype;
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for (i = 1; i <= atom->ntypes; i++) {
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for (i = 1; i <= atom->ntypes; i++) {
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onerad_dynamic[i] = onerad_frozen[i] = 0.0;
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onerad_dynamic[i] = onerad_frozen[i] = 0.0;
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for (auto ipour : pours) {
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for (auto &ipour : pours) {
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itype = i;
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itype = i;
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double maxrad = *((double *) ipour->extract("radius", itype));
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double maxrad = *((double *) ipour->extract("radius", itype));
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if (maxrad > 0.0) onerad_dynamic[i] = maxrad;
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if (maxrad > 0.0) onerad_dynamic[i] = maxrad;
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}
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}
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for (auto idep : deps) {
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for (auto &idep : deps) {
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itype = i;
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itype = i;
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double maxrad = *((double *) idep->extract("radius", itype));
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double maxrad = *((double *) idep->extract("radius", itype));
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if (maxrad > 0.0) onerad_dynamic[i] = maxrad;
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if (maxrad > 0.0) onerad_dynamic[i] = maxrad;
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@ -1160,12 +1160,12 @@ void PairGranular::init_style()
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int itype;
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int itype;
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for (i = 1; i <= atom->ntypes; i++) {
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for (i = 1; i <= atom->ntypes; i++) {
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onerad_dynamic[i] = onerad_frozen[i] = 0.0;
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onerad_dynamic[i] = onerad_frozen[i] = 0.0;
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for (auto ipour : pours) {
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for (auto &ipour : pours) {
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itype = i;
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itype = i;
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double maxrad = *((double *) ipour->extract("radius", itype));
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double maxrad = *((double *) ipour->extract("radius", itype));
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if (maxrad > 0.0) onerad_dynamic[i] = maxrad;
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if (maxrad > 0.0) onerad_dynamic[i] = maxrad;
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}
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}
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for (auto idep : deps) {
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for (auto &idep : deps) {
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itype = i;
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itype = i;
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double maxrad = *((double *) idep->extract("radius", itype));
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double maxrad = *((double *) idep->extract("radius", itype));
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if (maxrad > 0.0) onerad_dynamic[i] = maxrad;
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if (maxrad > 0.0) onerad_dynamic[i] = maxrad;
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@ -202,7 +202,7 @@ void Comm::init()
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if (ghost_velocity) size_border += atom->avec->size_velocity;
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if (ghost_velocity) size_border += atom->avec->size_velocity;
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const auto &fix_list = modify->get_fix_list();
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const auto &fix_list = modify->get_fix_list();
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for (auto fix : fix_list)
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for (const auto &fix : fix_list)
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size_border += fix->comm_border;
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size_border += fix->comm_border;
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// per-atom limits for communication
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// per-atom limits for communication
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@ -218,7 +218,7 @@ void Comm::init()
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if (force->pair) maxforward = MAX(maxforward,force->pair->comm_forward);
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if (force->pair) maxforward = MAX(maxforward,force->pair->comm_forward);
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if (force->pair) maxreverse = MAX(maxreverse,force->pair->comm_reverse);
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if (force->pair) maxreverse = MAX(maxreverse,force->pair->comm_reverse);
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for (auto fix : fix_list) {
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for (const auto &fix : fix_list) {
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maxforward = MAX(maxforward,fix->comm_forward);
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maxforward = MAX(maxforward,fix->comm_forward);
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maxreverse = MAX(maxreverse,fix->comm_reverse);
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maxreverse = MAX(maxreverse,fix->comm_reverse);
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}
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}
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@ -243,7 +243,7 @@ void Comm::init()
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maxexchange_atom = atom->avec->maxexchange;
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maxexchange_atom = atom->avec->maxexchange;
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maxexchange_fix_dynamic = 0;
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maxexchange_fix_dynamic = 0;
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for (auto fix : fix_list)
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for (const auto &fix : fix_list)
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if (fix->maxexchange_dynamic) maxexchange_fix_dynamic = 1;
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if (fix->maxexchange_dynamic) maxexchange_fix_dynamic = 1;
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if ((mode == Comm::MULTI) && (neighbor->style != Neighbor::MULTI))
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if ((mode == Comm::MULTI) && (neighbor->style != Neighbor::MULTI))
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@ -266,7 +266,7 @@ void Comm::init()
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void Comm::init_exchange()
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void Comm::init_exchange()
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{
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{
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maxexchange_fix = 0;
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maxexchange_fix = 0;
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for (auto fix : modify->get_fix_list())
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for (const auto &fix : modify->get_fix_list())
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maxexchange_fix += fix->maxexchange;
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maxexchange_fix += fix->maxexchange;
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maxexchange = maxexchange_atom + maxexchange_fix;
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maxexchange = maxexchange_atom + maxexchange_fix;
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@ -105,7 +105,7 @@ void Group::assign(int narg, char **arg)
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int igroup = find(arg[0]);
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int igroup = find(arg[0]);
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if (igroup == -1) error->all(FLERR,"Could not find group delete group ID");
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if (igroup == -1) error->all(FLERR,"Could not find group delete group ID");
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if (igroup == 0) error->all(FLERR,"Cannot delete group all");
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if (igroup == 0) error->all(FLERR,"Cannot delete group all");
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for (auto fix : modify->get_fix_list())
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for (const auto &fix : modify->get_fix_list())
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if (fix->igroup == igroup)
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if (fix->igroup == igroup)
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error->all(FLERR,"Cannot delete group currently used by a fix");
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error->all(FLERR,"Cannot delete group currently used by a fix");
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for (i = 0; i < modify->ncompute; i++)
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for (i = 0; i < modify->ncompute; i++)
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@ -569,7 +569,7 @@ void Info::command(int narg, char **arg)
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int i = 0;
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int i = 0;
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char **names = group->names;
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char **names = group->names;
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fputs("\nCompute information:\n",out);
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fputs("\nCompute information:\n",out);
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for (auto compute : modify->get_compute_list())
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for (const auto &compute : modify->get_compute_list())
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fmt::print(out,"Compute[{:3d}]: {:16} style = {:16} group = {}\n", i++,
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fmt::print(out,"Compute[{:3d}]: {:16} style = {:16} group = {}\n", i++,
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std::string(compute->id)+',',std::string(compute->style)+',',
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std::string(compute->id)+',',std::string(compute->style)+',',
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names[compute->igroup]);
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names[compute->igroup]);
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@ -598,7 +598,7 @@ void Info::command(int narg, char **arg)
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int i = 0;
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int i = 0;
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char **names = group->names;
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char **names = group->names;
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fputs("\nFix information:\n",out);
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fputs("\nFix information:\n",out);
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for (auto fix : modify->get_fix_list())
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for (const auto &fix : modify->get_fix_list())
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fmt::print(out, "Fix[{:3d}]: {:16} style = {:16} group = {}\n",i++,
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fmt::print(out, "Fix[{:3d}]: {:16} style = {:16} group = {}\n",i++,
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std::string(fix->id)+',',std::string(fix->style)+',',names[fix->igroup]);
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std::string(fix->id)+',',std::string(fix->style)+',',names[fix->igroup]);
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}
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}
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@ -906,7 +906,7 @@ bool Info::is_defined(const char *category, const char *name)
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return true;
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return true;
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}
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}
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} else if (strcmp(category,"fix") == 0) {
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} else if (strcmp(category,"fix") == 0) {
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for (auto fix : modify->get_fix_list()) {
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for (const auto &fix : modify->get_fix_list()) {
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if (strcmp(fix->id,name) == 0)
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if (strcmp(fix->id,name) == 0)
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return true;
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return true;
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}
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}
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@ -1011,7 +1011,7 @@ static std::vector<std::string> get_style_names(std::map<std::string, ValueType>
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std::vector<std::string> names;
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std::vector<std::string> names;
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names.reserve(styles->size());
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names.reserve(styles->size());
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for (auto const& kv : *styles) {
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for (auto const &kv : *styles) {
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// skip "secret" styles
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// skip "secret" styles
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if (isupper(kv.first[0])) continue;
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if (isupper(kv.first[0])) continue;
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names.push_back(kv.first);
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names.push_back(kv.first);
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@ -53,7 +53,7 @@ void Verlet::init()
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// warn if no fixes doing time integration
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// warn if no fixes doing time integration
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bool do_time_integrate = false;
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bool do_time_integrate = false;
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for (auto fix : modify->get_fix_list())
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for (const auto &fix : modify->get_fix_list())
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if (fix->time_integrate) do_time_integrate;
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if (fix->time_integrate) do_time_integrate;
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if (!do_time_integrate && (comm->me == 0))
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if (!do_time_integrate && (comm->me == 0))
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@ -213,7 +213,7 @@ void WriteData::write(const std::string &file)
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// extra sections managed by fixes
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// extra sections managed by fixes
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if (fixflag)
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if (fixflag)
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for (auto ifix : modify->get_fix_list())
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for (auto &ifix : modify->get_fix_list())
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if (ifix->wd_section)
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if (ifix->wd_section)
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for (int m = 0; m < ifix->wd_section; m++) fix(ifix,m);
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for (int m = 0; m < ifix->wd_section; m++) fix(ifix,m);
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@ -267,7 +267,7 @@ void WriteData::header()
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// fix info
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// fix info
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if (fixflag)
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if (fixflag)
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for (auto ifix : modify->get_fix_list())
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for (auto &ifix : modify->get_fix_list())
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if (ifix->wd_header)
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if (ifix->wd_header)
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for (int m = 0; m < ifix->wd_header; m++)
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for (int m = 0; m < ifix->wd_header; m++)
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ifix->write_data_header(fp,m);
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ifix->write_data_header(fp,m);
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@ -413,7 +413,7 @@ void WriteRestart::write(const std::string &file)
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// invoke any fixes that write their own restart file
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// invoke any fixes that write their own restart file
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for (auto fix : modify->get_fix_list())
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for (auto &fix : modify->get_fix_list())
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if (fix->restart_file)
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if (fix->restart_file)
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fix->write_restart_file(file.c_str());
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fix->write_restart_file(file.c_str());
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}
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}
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