add call to KSpace::two_charge() that was overlooked
This commit is contained in:
@ -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
|
||||
|
||||
Reference in New Issue
Block a user