diff --git a/src/REAXFF/pair_reaxff.cpp b/src/REAXFF/pair_reaxff.cpp index d0713308c0..41a55aeca0 100644 --- a/src/REAXFF/pair_reaxff.cpp +++ b/src/REAXFF/pair_reaxff.cpp @@ -136,7 +136,7 @@ PairReaxFF::~PairReaxFF() Delete_List(api->lists+THREE_BODIES); Delete_List(api->lists+FAR_NBRS); - DeAllocate_Workspace(api->control, api->workspace); + DeAllocate_Workspace(api->workspace); DeAllocate_System(api->system); } diff --git a/src/REAXFF/reaxff_allocate.cpp b/src/REAXFF/reaxff_allocate.cpp index cad86df9e8..5b0a4e513c 100644 --- a/src/REAXFF/reaxff_allocate.cpp +++ b/src/REAXFF/reaxff_allocate.cpp @@ -62,7 +62,6 @@ namespace ReaxFF { void DeAllocate_System(reax_system *system) { - auto error = system->error_ptr; auto memory = system->mem_ptr; // deallocate the atom list @@ -78,13 +77,12 @@ namespace ReaxFF { } /************* workspace *************/ - void DeAllocate_Workspace(control_params *control, storage *workspace) + void DeAllocate_Workspace(storage *workspace) { if (!workspace->allocated) return; workspace->allocated = 0; - auto error = control->error_ptr; /* bond order storage */ sfree(workspace->total_bond_order); @@ -245,7 +243,7 @@ namespace ReaxFF { system->my_atoms = (reax_atom *)::realloc(system->my_atoms, system->total_cap*sizeof(reax_atom)); /* workspace */ - DeAllocate_Workspace(control, workspace); + DeAllocate_Workspace(workspace); Allocate_Workspace(control, workspace, system->total_cap); } diff --git a/src/REAXFF/reaxff_api.h b/src/REAXFF/reaxff_api.h index f2e5aa07da..44c0adb9b0 100644 --- a/src/REAXFF/reaxff_api.h +++ b/src/REAXFF/reaxff_api.h @@ -41,7 +41,7 @@ struct API { extern void Allocate_Workspace(control_params *, storage *, int); 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 ReAllocate(reax_system *, control_params *, simulation_data *, storage *, reax_list **);