RealType* dvdl,
BoolType mask)
{
+ RealType one(1);
+ RealType zero(0);
+
/* check if we have to use the hardcore values */
- BoolType computeValues = mask && (lambdaFac < 1 && 0 < alphaEff && facel != 0);
+ BoolType computeValues = mask && (lambdaFac < one && zero < alphaEff && facel != zero);
if (gmx::anyTrue(computeValues))
{
RealType lambdaFacRev = gmx::selectByMask(1 - lambdaFac, computeValues);
RealType* dvdl,
BoolType mask)
{
+ RealType one(1);
+ RealType zero(0);
+
/* check if we have to use the hardcore values */
- BoolType computeValues = mask && (lambdaFac < 1 && 0 < alphaEff && facel != 0);
+ BoolType computeValues = mask && (lambdaFac < one && zero < alphaEff && facel != zero);
if (gmx::anyTrue(computeValues))
{
RealType lambdaFacRev = gmx::selectByMask(1 - lambdaFac, computeValues);
constexpr real c_oneTwelth = 1.0_real / 12.0_real;
constexpr real c_half = 1.0_real / 2.0_real;
+ RealType one(1);
+ RealType zero(0);
+
/* check if we have to use the hardcore values */
- BoolType computeValues = mask && (lambdaFac < 1 && 0 < alphaEff);
+ BoolType computeValues = mask && (lambdaFac < one && zero < alphaEff);
if (gmx::anyTrue(computeValues))
{
RealType lambdaFacRev = gmx::selectByMask(1 - lambdaFac, computeValues);