X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxana%2Fprinc.cpp;fp=src%2Fgromacs%2Fgmxana%2Fprinc.cpp;h=a5e9aef327d2758bce15c46f59dc1e1b7524ed30;hb=c3f2d46e4047f0c465f7234b3784a2fa6f02a065;hp=c8af2377b38eef69f0b2ae89ea561ba90003ade9;hpb=0595b4a4c763a0bc574658992081abf8b0abc3fe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxana/princ.cpp b/src/gromacs/gmxana/princ.cpp index c8af2377b3..a5e9aef327 100644 --- a/src/gromacs/gmxana/princ.cpp +++ b/src/gromacs/gmxana/princ.cpp @@ -163,7 +163,7 @@ void principal_comp(int n, atom_id index[], t_atom atom[], rvec x[], /* Sort eigenvalues in ascending order */ #define SWAPPER(i) \ - if (fabs(dd[i+1]) < fabs(dd[i])) { \ + if (std::abs(dd[i+1]) < std::abs(dd[i])) { \ temp = dd[i]; \ for (j = 0; (j < NDIM); j++) { tvec[j] = ev[j][i]; } \ dd[i] = dd[i+1]; \ @@ -229,7 +229,7 @@ real calc_xcm(rvec x[], int gnx, atom_id *index, t_atom *atom, rvec xcm, { if (bQ) { - m0 = fabs(atom[ii].q); + m0 = std::abs(atom[ii].q); } else {