Fix harmless bug in nonbonded FEP tests
authorJoe Jordan <ejjordan12@gmail.com>
Mon, 10 May 2021 20:31:19 +0000 (20:31 +0000)
committerArtem Zhmurov <zhmurov@gmail.com>
Mon, 10 May 2021 20:31:19 +0000 (20:31 +0000)
src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp

index 5b7e08454c12a3ddd7631849dbec5966a7aafba5..9aa1ad0659f56f03accbb12995cece52eddf81ea 100644 (file)
@@ -244,7 +244,7 @@ public:
     }
 
     void setSoftcoreAlpha(const real scAlpha) { fepVals_.sc_alpha = scAlpha; }
-    void setSoftcoreCoulomb(const real scCoulomb) { fepVals_.bScCoul = scCoulomb; }
+    void setSoftcoreCoulomb(const bool scCoulomb) { fepVals_.bScCoul = scCoulomb; }
 
     //! get forcerec data as wanted by the nonbonded kernel
     void getForcerec(t_forcerec* fr)