From bb024bc07744405ed0d2c509b42119ada19722dd Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 22 Jan 2020 14:46:57 -0500 Subject: [PATCH] add call to KSpace::two_charge() that was overlooked --- src/KSPACE/ewald_disp.cpp | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/src/KSPACE/ewald_disp.cpp b/src/KSPACE/ewald_disp.cpp index a7f0698c0c..5cb6ed619c 100644 --- a/src/KSPACE/ewald_disp.cpp +++ b/src/KSPACE/ewald_disp.cpp @@ -178,6 +178,12 @@ void EwaldDisp::init() if (!function[1] && !function[2]) dispersionflag = 0; if (!function[3]) dipoleflag = 0; + // compute two charge force + + two_charge(); + + // extract short-range Coulombic cutoff from pair style + pair_check(); // set accuracy (force units) from accuracy_relative or accuracy_absolute