call add_efield

src/main_gpumd/add_field.cu → src/main_gpumd/add_efield.cu

@@ -47,7 +47,7 @@ add_efield(
   }
 }
 
-void Add_Efeild::compute(const int step, const std::vector<Group>& groups, Atom& atom)
+void Add_Efield::compute(const int step, const std::vector<Group>& groups, Atom& atom)
 {
   for (int call = 0; call < num_calls_; ++call) {
     const int step_mod_table_length = step % table_length_[call];
@@ -73,7 +73,7 @@ void Add_Efeild::compute(const int step, const std::vector<Group>& groups, Atom&
   }
 }
 
-void Add_Efeild::parse(const char** param, int num_param, const std::vector<Group>& group)
+void Add_Efield::parse(const char** param, int num_param, const std::vector<Group>& group)
 {
   printf("Add electric field.\n");
 
@@ -162,7 +162,7 @@ void Add_Efeild::parse(const char** param, int num_param, const std::vector<Grou
   }
 }
 
-void Add_Efeild::finalize() 
+void Add_Efield::finalize() 
 { 
   num_calls_ = 0;
 }

src/main_gpumd/add_efield.cuh

@@ -20,7 +20,7 @@
 class Atom;
 class Group;
 
-class Add_Efeild
+class Add_Efield
 {
 public:
 

src/main_gpumd/run.cu

@@ -17,6 +17,7 @@
 Run simulation according to the inputs in the run.in file.
 ------------------------------------------------------------------------------*/
 
+#include "add_efield.cuh"
 #include "add_force.cuh"
 #include "cohesive.cuh"
 #include "electron_stop.cuh"
@@ -259,6 +260,7 @@ void Run::perform_a_run()
 
     electron_stop.compute(time_step, atom);
     add_force.compute(step, group, atom);
+    add_efield.compute(step, group, atom);
 
     integrate.compute2(time_step, double(step) / number_of_steps, group, box, atom, thermo);
 
@@ -314,6 +316,7 @@ void Run::perform_a_run()
 
   electron_stop.finalize();
   add_force.finalize();
+  add_efield.finalize();
   integrate.finalize();
   mc.finalize();
   velocity.finalize();
@@ -466,6 +469,8 @@ void Run::parse_one_keyword(std::vector<std::string>& tokens)
     electron_stop.parse(param, num_param, atom.number_of_atoms, number_of_types);
   } else if (strcmp(param[0], "add_force") == 0) {
     add_force.parse(param, num_param, group);
+  } else if (strcmp(param[0], "add_efield") == 0) {
+    add_efield.parse(param, num_param, group);
   } else if (strcmp(param[0], "mc") == 0) {
     mc.parse_mc(param, num_param, group, atom);
   } else if (strcmp(param[0], "dftd3") == 0) {

src/main_gpumd/run.cuh

@@ -19,6 +19,7 @@ class Force;
 class Integrate;
 class Measure;
 
+#include "add_efield.cuh"
 #include "add_force.cuh"
 #include "electron_stop.cuh"
 #include "force/force.cuh"
@@ -70,4 +71,5 @@ private:
   Measure measure;
   Electron_Stop electron_stop;
   Add_Force add_force;
+  Add_Efield add_efield;
 };