diff --git a/src/USER-CUDA/pppm_cuda.cpp b/src/USER-CUDA/pppm_cuda.cpp index 88fa0e2792..328ab5ebfa 100644 --- a/src/USER-CUDA/pppm_cuda.cpp +++ b/src/USER-CUDA/pppm_cuda.cpp @@ -72,7 +72,6 @@ using namespace MathConst; #define LARGE 10000.0 #define EPS_HOC 1.0e-7 - void printArray(double* data,int nx, int ny, int nz) { for(int i=0;ix2lamda(atom->nlocal); } - // extend size of per-atom arrays if necessary - // force update of device data, if arrays resized or charges changed - // NOTE: also need to test for q changed ?? + // extend size of PPPM per-atom arrays if necessary + // force update of device data, if arrays resized + if (cu_atom->update_nmax || old_nmax == 0) { memory->destroy(part2grid);