diff --git a/src/compute_hexorder_atom.cpp b/src/compute_hexorder_atom.cpp index 93b84080bc90a23a766e5db0031d65ce679ebb5d..013036f364a83320f0296d319b5a3c7c54492e41 100644 --- a/src/compute_hexorder_atom.cpp +++ b/src/compute_hexorder_atom.cpp @@ -248,7 +248,7 @@ inline void ComputeHexOrderAtom::calc_qn_complex(double delx, double dely, doubl double x = delx*rinv; double y = dely*rinv; std::complex<double> z(x, y); - std::complex<double> zn = pow(z, nnn); + std::complex<double> zn = pow(z, ndegree); u = real(zn); v = imag(zn); } @@ -259,9 +259,9 @@ inline void ComputeHexOrderAtom::calc_qn_complex(double delx, double dely, doubl inline void ComputeHexOrderAtom::calc_qn_trig(double delx, double dely, double &u, double &v) { double ntheta; if(fabs(delx) <= MY_EPSILON) { - if(dely > 0.0) ntheta = nnn * MY_PI / 2.0; - else ntheta = nnn * 3.0 * MY_PI / 2.0; - } else ntheta = nnn * atan(dely / delx); + if(dely > 0.0) ntheta = ndegree * MY_PI / 2.0; + else ntheta = ndegree * 3.0 * MY_PI / 2.0; + } else ntheta = ndegree * atan(dely / delx); u = cos(ntheta); v = sin(ntheta); }