ICODE-ADC/lammps
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Cleaning changes 2

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This commit is contained in:
mkanski
2019-03-25 15:22:20 +01:00
parent 99acb4ac54
commit 83e458af0b
19 changed files with 35 additions and 43 deletions
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src/USER-REAXC/pair_reaxc.cpp
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@ -521,7 +521,7 @@ void PairReaxC::compute(int eflag, int vflag)
setup();
Reset( lmp, system, control, data, workspace, &lists, world );
Reset( system, control, data, workspace, &lists, world );
workspace->realloc.num_far = write_reax_lists();
// timing for filling in the reax lists
if (comm->me == 0) {
@ -531,7 +531,7 @@ void PairReaxC::compute(int eflag, int vflag)
// forces
Compute_Forces(lmp, system,control,data,workspace,&lists,out_control,mpi_data);
Compute_Forces(system,control,data,workspace,&lists,out_control,mpi_data);
read_reax_forces(vflag);
for(int k = 0; k < system->N; ++k) {