"platforms/cuda/vscode:/vscode.git/clone" did not exist on "787869c355c7fae243794f619beff3b730315429"
Commit bb2c5f84 authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed an error in the reference implementation of VariableLangevinIntegrator

parent d147fc2c
...@@ -378,7 +378,7 @@ int ReferenceVariableStochasticDynamics::updatePart1( int numberOfAtoms, RealOpe ...@@ -378,7 +378,7 @@ int ReferenceVariableStochasticDynamics::updatePart1( int numberOfAtoms, RealOpe
RealOpenMM vPrime = oldVelocities[ii][jj]*fixedParameters[EM_V] + RealOpenMM vPrime = oldVelocities[ii][jj]*fixedParameters[EM_V] +
inverseMasses[ii]*forces[ii][jj]*tau*(one - fixedParameters[EM_V]) + inverseMasses[ii]*forces[ii][jj]*tau*(one - fixedParameters[EM_V]) +
vVector[ii][jj] - fixedParameters[EM_V]*Vmh; vVector[ii][jj] - fixedParameters[EM]*Vmh;
xPrime[ii][jj] = atomCoordinates[ii][jj] + vPrime*fix1; xPrime[ii][jj] = atomCoordinates[ii][jj] + vPrime*fix1;
} }
......
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