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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/BODY/body_rounded_polyhedron.cpp
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@ -24,6 +24,7 @@
#include "atom.h"
#include "force.h"
#include "math_extra.h"
#include "math_eigen.h"
#include "memory.h"
#include "error.h"
#include "fmt/format.h"
@ -243,7 +244,7 @@ void BodyRoundedPolyhedron::data_body(int ibonus, int ninteger, int ndouble,
double *inertia = bonus->inertia;
double evectors[3][3];
int ierror = MathExtra::jacobi(tensor,inertia,evectors);
int ierror = MathEigen::jacobi3(tensor,inertia,evectors);
if (ierror) error->one(FLERR,
"Insufficient Jacobi rotations for body nparticle");