diff --git a/src/QEQ/fix_qeq_ctip.cpp b/src/QEQ/fix_qeq_ctip.cpp index 889e0f5ebd..a541c990ee 100644 --- a/src/QEQ/fix_qeq_ctip.cpp +++ b/src/QEQ/fix_qeq_ctip.cpp @@ -416,7 +416,7 @@ int FixQEqCTIP::calculate_check_Q() qi_check1=(qi_new-qmin[type[i]])*(qi_old-qmin[type[i]]); qi_check2=(qi_new-qmax[type[i]])*(qi_old-qmax[type[i]]); if ( qi_check1 < 0.0 || qi_check2 < 0.0 ) { - qi_check3=abs(qi_new-qi_old); + qi_check3=fabs(qi_new-qi_old); if (qi_check3 > tolerance) n++; } }