fix pppm/disp initialization issues (17a96121) · Commits · 郑智淋 / lammps

src/KSPACE/pppm_disp.cpp

+3 −1

Original line number	Diff line number	Diff line
		@@ -213,6 +213,8 @@ PPPMDisp::PPPMDisp(LAMMPS *lmp) : KSpace(lmp),
		gc = gc6 = NULL;
		gc_buf1 = gc_buf2 = NULL;
		gc6_buf1 = gc6_buf2 = NULL;
		ngc_buf1 = ngc_buf2 = ngc6_buf1 = ngc6_buf2 = 0;
		npergrid = npergrid6 = 0;

		nmax = 0;
		part2grid = NULL;
		@@ -8283,7 +8285,7 @@ double PPPMDisp::memory_usage()
		// four GridComm bufs

		bytes += (ngc_buf1 + ngc_buf2) * npergrid * sizeof(FFT_SCALAR);
		bytes += (ngc6_buf1 + ngc6_buf2) * npergrid * sizeof(FFT_SCALAR);
		bytes += (ngc6_buf1 + ngc6_buf2) * npergrid6 * sizeof(FFT_SCALAR);

		return bytes;
		}