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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/atom_vec_tri.cpp
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@ -15,6 +15,7 @@
#include <cmath>
#include <cstring>
#include "math_extra.h"
#include "math_eigen.h"
#include "atom.h"
#include "domain.h"
#include "modify.h"
@ -555,7 +556,7 @@ void AtomVecTri::data_atom_bonus(int m, char **values)
tensor[0][2] = tensor[2][0] = inertia[4];
tensor[0][1] = tensor[1][0] = inertia[5];
int ierror = MathExtra::jacobi(tensor,bonus[nlocal_bonus].inertia,evectors);
int ierror = MathEigen::jacobi3(tensor,bonus[nlocal_bonus].inertia,evectors);
if (ierror) error->one(FLERR,"Insufficient Jacobi rotations for triangle");
double ex_space[3],ey_space[3],ez_space[3];