git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6157 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -42,6 +42,7 @@
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#include "neighbor.h"
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#include "neighbor.h"
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#include "special.h"
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#include "special.h"
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#include "variable.h"
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#include "variable.h"
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#include "accelerator.h"
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#include "error.h"
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#include "error.h"
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#include "memory.h"
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#include "memory.h"
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@ -417,6 +418,7 @@ int Input::execute_command()
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else if (!strcmp(command,"shell")) shell();
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else if (!strcmp(command,"shell")) shell();
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else if (!strcmp(command,"variable")) variable_command();
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else if (!strcmp(command,"variable")) variable_command();
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else if (!strcmp(command,"accelerator")) accelerator();
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else if (!strcmp(command,"angle_coeff")) angle_coeff();
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else if (!strcmp(command,"angle_coeff")) angle_coeff();
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else if (!strcmp(command,"angle_style")) angle_style();
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else if (!strcmp(command,"angle_style")) angle_style();
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else if (!strcmp(command,"atom_modify")) atom_modify();
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else if (!strcmp(command,"atom_modify")) atom_modify();
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@ -801,6 +803,20 @@ void Input::variable_command()
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one function for each LAMMPS-specific input script command
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one function for each LAMMPS-specific input script command
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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void Input::accelerator()
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{
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if (domain->box_exist)
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error->all("Accelerator command after simulation box is defined");
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if (narg < 1) error->all("Illegal accelerator command");
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if (strcmp(lmp->asuffix,arg[0]) != 0)
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error->all("Accelerator command requires matching command-line -a switch");
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if (strcmp(arg[0],"cuda") == 0) lmp->cuda->accelerator(narg-1,&arg[1]);
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else error->all("Illegal accelerator command");
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}
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/* ---------------------------------------------------------------------- */
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void Input::angle_coeff()
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void Input::angle_coeff()
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{
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{
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if (domain->box_exist == 0)
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if (domain->box_exist == 0)
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@ -837,7 +853,7 @@ void Input::atom_style()
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if (narg < 1) error->all("Illegal atom_style command");
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if (narg < 1) error->all("Illegal atom_style command");
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if (domain->box_exist)
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if (domain->box_exist)
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error->all("Atom_style command after simulation box is defined");
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error->all("Atom_style command after simulation box is defined");
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atom->create_avec(arg[0],narg-1,&arg[1]);
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atom->create_avec(arg[0],narg-1,&arg[1],lmp->asuffix);
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -884,7 +900,7 @@ void Input::communicate()
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void Input::compute()
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void Input::compute()
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{
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{
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modify->add_compute(narg,arg);
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modify->add_compute(narg,arg,lmp->asuffix);
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -962,7 +978,7 @@ void Input::dump_modify()
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void Input::fix()
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void Input::fix()
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{
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{
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modify->add_fix(narg,arg);
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modify->add_fix(narg,arg,lmp->asuffix);
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -1132,7 +1148,7 @@ void Input::pair_style()
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force->pair->settings(narg-1,&arg[1]);
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force->pair->settings(narg-1,&arg[1]);
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return;
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return;
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}
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}
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force->create_pair(arg[0]);
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force->create_pair(arg[0],lmp->asuffix);
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if (force->pair) force->pair->settings(narg-1,&arg[1]);
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if (force->pair) force->pair->settings(narg-1,&arg[1]);
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}
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}
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@ -61,7 +61,8 @@ class Input : protected Pointers {
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void shell();
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void shell();
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void variable_command();
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void variable_command();
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void angle_coeff(); // LAMMPS commands
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void accelerator(); // LAMMPS commands
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void angle_coeff();
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void angle_style();
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void angle_style();
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void atom_modify();
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void atom_modify();
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void atom_style();
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void atom_style();
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