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updated all code in LAMMPS to use the open-source "math_eigen.h" instead of "math_extra.h". Code in "lib" now uses its own abbreviated local version of the "math_eigen.h" file (which is named "jacobi_pd.h"), since it is not clear how code from "lib/" can access the code in "src/"

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This commit is contained in:
Andrew Jewett
2020-09-05 01:39:27 -07:00
parent 7f6fc8a003
commit 57f82abae3
20 changed files with 1299 additions and 768 deletions
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3
src/RIGID/fix_rigid.cpp
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@ -17,6 +17,7 @@
#include <cstdlib>
#include <cstring>
#include "math_extra.h"
#include "math_eigen.h"
#include "atom.h"
#include "atom_vec_ellipsoid.h"
#include "atom_vec_line.h"
@ -1948,7 +1949,7 @@ void FixRigid::setup_bodies_static()
tensor[0][2] = tensor[2][0] = all[ibody][4];
tensor[0][1] = tensor[1][0] = all[ibody][5];
ierror = MathExtra::jacobi(tensor,inertia[ibody],evectors);
ierror = MathEigen::jacobi3(tensor,inertia[ibody],evectors);
if (ierror) error->all(FLERR,
"Insufficient Jacobi rotations for rigid body");