From 741a27239040a97e026cf71725f1a4fd8a77ba04 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 28 Feb 2012 00:15:19 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7845 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/KSPACE/pppm.cpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp index 3f640e3456..99fe7204ef 100644 --- a/src/KSPACE/pppm.cpp +++ b/src/KSPACE/pppm.cpp @@ -638,19 +638,19 @@ void PPPM::setup() sum1 = 0.0; for (nx = -nbx; nx <= nbx; nx++) { qx = unitkx*(kper+nx_pppm*nx); - sx = exp(-.25*pow(qx/g_ewald,2.0)); + sx = exp(-0.25*pow(qx/g_ewald,2.0)); wx = 1.0; argx = 0.5*qx*xprd/nx_pppm; if (argx != 0.0) wx = pow(sin(argx)/argx,order); for (ny = -nby; ny <= nby; ny++) { qy = unitky*(lper+ny_pppm*ny); - sy = exp(-.25*pow(qy/g_ewald,2.0)); + sy = exp(-0.25*pow(qy/g_ewald,2.0)); wy = 1.0; argy = 0.5*qy*yprd/ny_pppm; if (argy != 0.0) wy = pow(sin(argy)/argy,order); for (nz = -nbz; nz <= nbz; nz++) { qz = unitkz*(mper+nz_pppm*nz); - sz = exp(-.25*pow(qz/g_ewald,2.0)); + sz = exp(-0.25*pow(qz/g_ewald,2.0)); wz = 1.0; argz = 0.5*qz*zprd_slab/nz_pppm; if (argz != 0.0) wz = pow(sin(argz)/argz,order);