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remove dead code

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This commit is contained in:
Axel Kohlmeyer
2023-01-27 20:48:32 -05:00
parent 03c8b0ff89
commit 7e6333fdd1
3 changed files with 4 additions and 6 deletions
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2
src/REAXFF/pair_reaxff.cpp
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@ -136,7 +136,7 @@ PairReaxFF::~PairReaxFF()
Delete_List(api->lists+THREE_BODIES); Delete_List(api->lists+THREE_BODIES);
Delete_List(api->lists+FAR_NBRS); Delete_List(api->lists+FAR_NBRS);
DeAllocate_Workspace(api->control, api->workspace); DeAllocate_Workspace(api->workspace);
DeAllocate_System(api->system); DeAllocate_System(api->system);
} }

6
src/REAXFF/reaxff_allocate.cpp
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@ -62,7 +62,6 @@ namespace ReaxFF {
void DeAllocate_System(reax_system *system) void DeAllocate_System(reax_system *system)
{ {
auto error = system->error_ptr;
auto memory = system->mem_ptr; auto memory = system->mem_ptr;
// deallocate the atom list // deallocate the atom list
@ -78,13 +77,12 @@ namespace ReaxFF {
} }
/************* workspace *************/ /************* workspace *************/
void DeAllocate_Workspace(control_params *control, storage *workspace) void DeAllocate_Workspace(storage *workspace)
{ {
if (!workspace->allocated) if (!workspace->allocated)
return; return;
workspace->allocated = 0; workspace->allocated = 0;
auto error = control->error_ptr;
/* bond order storage */ /* bond order storage */
sfree(workspace->total_bond_order); sfree(workspace->total_bond_order);
@ -245,7 +243,7 @@ namespace ReaxFF {
system->my_atoms = (reax_atom *)::realloc(system->my_atoms, system->my_atoms = (reax_atom *)::realloc(system->my_atoms,
system->total_cap*sizeof(reax_atom)); system->total_cap*sizeof(reax_atom));
/* workspace */ /* workspace */
DeAllocate_Workspace(control, workspace); DeAllocate_Workspace(workspace);
Allocate_Workspace(control, workspace, system->total_cap); Allocate_Workspace(control, workspace, system->total_cap);
} }

2
src/REAXFF/reaxff_api.h
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@ -41,7 +41,7 @@ struct API {
extern void Allocate_Workspace(control_params *, storage *, int); extern void Allocate_Workspace(control_params *, storage *, int);
extern void DeAllocate_System(reax_system *); extern void DeAllocate_System(reax_system *);
extern void DeAllocate_Workspace(control_params *, storage *); extern void DeAllocate_Workspace(storage *);
extern void PreAllocate_Space(reax_system *, storage *); extern void PreAllocate_Space(reax_system *, storage *);
extern void ReAllocate(reax_system *, control_params *, simulation_data *, storage *, reax_list **); extern void ReAllocate(reax_system *, control_params *, simulation_data *, storage *, reax_list **);