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Now the forces from LWALLS should be correct (and maybe also the ener…
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…gies)
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Iximiel committed Sep 16, 2024
1 parent fe01b29 commit 9a3ac76
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/bias/LWalls.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -133,7 +133,7 @@ void LWalls::calculate() {
if( lscale < 0.) {
const double k=kappa[i];
const double exponent=exp[i];
double power = std::pow( lscale, exponent );
double power = std::pow( -lscale, exponent );
f = -( k / epsilon ) * exponent * power / lscale;
ene += k * power;
totf2 += f * f;
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