Merge "Merge branch 'release-5-0'"

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / readir.c

diff --git a/src/gromacs/gmxpreprocess/readir.c b/src/gromacs/gmxpreprocess/readir.c
index ac169f0203d2786456b4b1ec60c4e1b811bcf640..6b4a6e8caf99c43e96b66fbfa3b93d05e48c10b9 100644 (file)
--- a/src/gromacs/gmxpreprocess/readir.c
+++ b/src/gromacs/gmxpreprocess/readir.c
@@ -159,7 +159,7 @@ static void GetSimTemps(int ntemps, t_simtemp *simtemp, double *temperature_lamb
         }
         else if (simtemp->eSimTempScale == esimtempEXPONENTIAL)
         {
-            simtemp->temperatures[i] = simtemp->simtemp_low + (simtemp->simtemp_high-simtemp->simtemp_low)*((exp(temperature_lambdas[i])-1)/(exp(1.0)-1));
+            simtemp->temperatures[i] = simtemp->simtemp_low + (simtemp->simtemp_high-simtemp->simtemp_low)*(gmx_expm1(temperature_lambdas[i])/gmx_expm1(1.0));
         }
         else
         {