forked from lijiext/lammps
whitespace cleanup
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c3897212e2
commit
264f6e1630
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@ -113,17 +113,19 @@ void KimStyle::do_init(char *model)
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FixStoreKIM *fix_store = (FixStoreKIM *) modify->fix[ifix];
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fix_store->setptr("model_name", (void *) model);
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int kimerror;
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KIM::SimulatorModel * simulatorModel;
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kimerror = KIM::SimulatorModel::Create(model,&simulatorModel);
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// not a Kim Simulator Model; nothing else to do here.
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if (kimerror) return;
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fix_store->setptr("simulator_model", (void *) simulatorModel);
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// need to call this to have access to (some) simulator model init data.
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simulatorModel->CloseTemplateMap();
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int sim_fields, sim_lines;
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@ -131,6 +133,7 @@ void KimStyle::do_init(char *model)
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simulatorModel->GetNumberOfSimulatorFields(&sim_fields);
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// set units
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for (int i=0; i < sim_fields; ++i) {
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simulatorModel->GetSimulatorFieldMetadata(i,&sim_lines,&sim_field);
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if (*sim_field == "units") {
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@ -143,6 +146,7 @@ void KimStyle::do_init(char *model)
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}
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// init model
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for (int i=0; i < sim_fields; ++i) {
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simulatorModel->GetSimulatorFieldMetadata(i,&sim_lines,&sim_field);
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if (*sim_field == "model-init") {
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@ -155,6 +159,7 @@ void KimStyle::do_init(char *model)
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}
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// reset template map.
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simulatorModel->ClearTemplateMap();
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}
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@ -281,7 +286,7 @@ void KimStyle::do_defn(int narg, char **arg)
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simulatorModel->ClearTemplateMap();
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} else {
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// not a simulator model. issue pair_style and pair_coeff commands.
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// NOTE: all references to arg must appear before calls to input->one()
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// as that will reset the argument vector.
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