diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp index 7bbe6ca4e8..87952c009d 100644 --- a/src/KSPACE/pppm.cpp +++ b/src/KSPACE/pppm.cpp @@ -1330,8 +1330,8 @@ void PPPM::set_fft_parameters() nbuf_peratom = 6*nbuf; if (differentiation_flag != 1) { + nbuf_peratom += nbuf; nbuf *= 3; - nbuf_peratom++; } }