Commit e5933ecc authored by lucienPan's avatar lucienPan
Browse files

Fix previous submission of nan problem

parent 29b2dc70

src/CLASS2/dihedral_class2.cpp

+2 −2
Original line number Diff line number Diff line
@@ -182,8 +182,8 @@ void DihedralClass2::compute(int eflag, int vflag) 
    costh23 = (vb2xm*vb3x + vb2ym*vb3y + vb2zm*vb3z) * r12c2;



    costh12 = MAX(MIN(costh12, 1.0), -1.0);

    costh13 = MAX(MIN(costh12, 1.0), -1.0);

    costh23 = MAX(MIN(costh12, 1.0), -1.0);

    costh13 = MAX(MIN(costh13, 1.0), -1.0);

    costh23 = MAX(MIN(costh23, 1.0), -1.0);

    c0 = costh13;



    // cos and sin of 2 angles and final c

CRA Git | Maintained and supported by SUSTech CRA and CCSE