ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
8d5a59c0fa6e9736700d26af050870830d40e5f3
lammps/src/atom_vec_tri.cpp
Axel Kohlmeyer e6e9aed385 modernize/correct parsing for Bonus and Bodies sections
2021-12-30 22:58:14 -05:00

813 lines
23 KiB
C++
Raw Blame History

// clang-format off
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "atom_vec_tri.h"
#include "atom.h"
#include "domain.h"
#include "error.h"
#include "fix.h"
#include "math_const.h"
#include "math_extra.h"
#include "math_eigen.h"
#include "memory.h"
#include "modify.h"
#include <cmath>
#include <cstring>
using namespace LAMMPS_NS;
using namespace MathConst;
#define EPSILON 0.001
/* ---------------------------------------------------------------------- */
AtomVecTri::AtomVecTri(LAMMPS *lmp) : AtomVec(lmp)
{
molecular = Atom::ATOMIC;
bonus_flag = 1;
size_forward_bonus = 4;
size_border_bonus = 17;
size_restart_bonus_one = 17;
size_data_bonus = 10;
atom->tri_flag = 1;
atom->molecule_flag = atom->rmass_flag = 1;
atom->radius_flag = atom->omega_flag = atom->angmom_flag = 1;
atom->torque_flag = 1;
atom->sphere_flag = 1;
nlocal_bonus = nghost_bonus = nmax_bonus = 0;
bonus = nullptr;
// strings with peratom variables to include in each AtomVec method
// strings cannot contain fields in corresponding AtomVec default strings
// order of fields in a string does not matter
// except: fields_data_atom & fields_data_vel must match data file
fields_grow = (char *) "molecule radius rmass omega angmom torque tri";
fields_copy = (char *) "molecule radius rmass omega angmom";
fields_comm = (char *) "";
fields_comm_vel = (char *) "omega angmom";
fields_reverse = (char *) "torque";
fields_border = (char *) "molecule radius rmass";
fields_border_vel = (char *) "molecule radius rmass omega";
fields_exchange = (char *) "molecule radius rmass omega angmom";
fields_restart = (char *) "molecule radius rmass omega angmom";
fields_create = (char *) "molecule radius rmass omega angmom tri";
fields_data_atom = (char *) "id molecule type tri rmass x";
fields_data_vel = (char *) "id v omega angmom";
setup_fields();
}
/* ---------------------------------------------------------------------- */
AtomVecTri::~AtomVecTri()
{
memory->sfree(bonus);
}
/* ---------------------------------------------------------------------- */
void AtomVecTri::init()
{
AtomVec::init();
if (domain->dimension != 3)
error->all(FLERR,"Atom_style tri can only be used in 3d simulations");
}
/* ----------------------------------------------------------------------
set local copies of all grow ptrs used by this class, except defaults
needed in replicate when 2 atom classes exist and it calls pack_restart()
------------------------------------------------------------------------- */
void AtomVecTri::grow_pointers()
{
tri = atom->tri;
radius = atom->radius;
rmass = atom->rmass;
omega = atom->omega;
angmom = atom->angmom;
}
/* ----------------------------------------------------------------------
grow bonus data structure
------------------------------------------------------------------------- */
void AtomVecTri::grow_bonus()
{
nmax_bonus = grow_nmax_bonus(nmax_bonus);
if (nmax_bonus < 0)
error->one(FLERR,"Per-processor system is too big");
bonus = (Bonus *) memory->srealloc(bonus,nmax_bonus*sizeof(Bonus),
"atom:bonus");
}
/* ----------------------------------------------------------------------
copy atom I info to atom J
if delflag and atom J has bonus data, then delete it
------------------------------------------------------------------------- */
void AtomVecTri::copy_bonus(int i, int j, int delflag)
{
// if deleting atom J via delflag and J has bonus data, then delete it
if (delflag && tri[j] >= 0) {
copy_bonus_all(nlocal_bonus-1,tri[j]);
nlocal_bonus--;
}
// if atom I has bonus data, reset I's bonus.ilocal to loc J
// do NOT do this if self-copy (I=J) since I's bonus data is already deleted
if (tri[i] >= 0 && i != j) bonus[tri[i]].ilocal = j;
tri[j] = tri[i];
}
/* ----------------------------------------------------------------------
copy bonus data from I to J, effectively deleting the J entry
also reset tri that points to I to now point to J
------------------------------------------------------------------------- */
void AtomVecTri::copy_bonus_all(int i, int j)
{
tri[bonus[i].ilocal] = j;
memcpy(&bonus[j],&bonus[i],sizeof(Bonus));
}
/* ----------------------------------------------------------------------
clear ghost info in bonus data
called before ghosts are recommunicated in comm and irregular
------------------------------------------------------------------------- */
void AtomVecTri::clear_bonus()
{
nghost_bonus = 0;
if (atom->nextra_grow)
for (int iextra = 0; iextra < atom->nextra_grow; iextra++)
modify->fix[atom->extra_grow[iextra]]->clear_bonus();
}
/* ---------------------------------------------------------------------- */
int AtomVecTri::pack_comm_bonus(int n, int *list, double *buf)
{
int i,j,m;
double *quat;
m = 0;
for (i = 0; i < n; i++) {
j = list[i];
if (tri[j] >= 0) {
quat = bonus[tri[j]].quat;
buf[m++] = quat[0];
buf[m++] = quat[1];
buf[m++] = quat[2];
buf[m++] = quat[3];
}
}
return m;
}
/* ---------------------------------------------------------------------- */
void AtomVecTri::unpack_comm_bonus(int n, int first, double *buf)
{
int i,m,last;
double *quat;
m = 0;
last = first + n;
for (i = first; i < last; i++) {
if (tri[i] >= 0) {
quat = bonus[tri[i]].quat;
quat[0] = buf[m++];
quat[1] = buf[m++];
quat[2] = buf[m++];
quat[3] = buf[m++];
}
}
}
/* ---------------------------------------------------------------------- */
int AtomVecTri::pack_border_bonus(int n, int *list, double *buf)
{
int i,j,m;
double *quat,*c1,*c2,*c3,*inertia;
m = 0;
for (i = 0; i < n; i++) {
j = list[i];
if (tri[j] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
quat = bonus[tri[j]].quat;
c1 = bonus[tri[j]].c1;
c2 = bonus[tri[j]].c2;
c3 = bonus[tri[j]].c3;
inertia = bonus[tri[j]].inertia;
buf[m++] = quat[0];
buf[m++] = quat[1];
buf[m++] = quat[2];
buf[m++] = quat[3];
buf[m++] = c1[0];
buf[m++] = c1[1];
buf[m++] = c1[2];
buf[m++] = c2[0];
buf[m++] = c2[1];
buf[m++] = c2[2];
buf[m++] = c3[0];
buf[m++] = c3[1];
buf[m++] = c3[2];
buf[m++] = inertia[0];
buf[m++] = inertia[1];
buf[m++] = inertia[2];
}
}
return m;
}
/* ---------------------------------------------------------------------- */
int AtomVecTri::unpack_border_bonus(int n, int first, double *buf)
{
int i,j,m,last;
double *quat,*c1,*c2,*c3,*inertia;
m = 0;
last = first + n;
for (i = first; i < last; i++) {
tri[i] = (int) ubuf(buf[m++]).i;
if (tri[i] == 0) tri[i] = -1;
else {
j = nlocal_bonus + nghost_bonus;
if (j == nmax_bonus) grow_bonus();
quat = bonus[j].quat;
c1 = bonus[j].c1;
c2 = bonus[j].c2;
c3 = bonus[j].c3;
inertia = bonus[j].inertia;
quat[0] = buf[m++];
quat[1] = buf[m++];
quat[2] = buf[m++];
quat[3] = buf[m++];
c1[0] = buf[m++];
c1[1] = buf[m++];
c1[2] = buf[m++];
c2[0] = buf[m++];
c2[1] = buf[m++];
c2[2] = buf[m++];
c3[0] = buf[m++];
c3[1] = buf[m++];
c3[2] = buf[m++];
inertia[0] = buf[m++];
inertia[1] = buf[m++];
inertia[2] = buf[m++];
bonus[j].ilocal = i;
tri[i] = j;
nghost_bonus++;
}
}
return m;
}
/* ----------------------------------------------------------------------
pack data for atom I for sending to another proc
xyz must be 1st 3 values, so comm::exchange() can test on them
------------------------------------------------------------------------- */
int AtomVecTri::pack_exchange_bonus(int i, double *buf)
{
int m = 0;
if (tri[i] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
int j = tri[i];
double *quat = bonus[j].quat;
double *c1 = bonus[j].c1;
double *c2 = bonus[j].c2;
double *c3 = bonus[j].c3;
double *inertia = bonus[j].inertia;
buf[m++] = quat[0];
buf[m++] = quat[1];
buf[m++] = quat[2];
buf[m++] = quat[3];
buf[m++] = c1[0];
buf[m++] = c1[1];
buf[m++] = c1[2];
buf[m++] = c2[0];
buf[m++] = c2[1];
buf[m++] = c2[2];
buf[m++] = c3[0];
buf[m++] = c3[1];
buf[m++] = c3[2];
buf[m++] = inertia[0];
buf[m++] = inertia[1];
buf[m++] = inertia[2];
}
return m;
}
/* ---------------------------------------------------------------------- */
int AtomVecTri::unpack_exchange_bonus(int ilocal, double *buf)
{
int m = 0;
tri[ilocal] = (int) ubuf(buf[m++]).i;
if (tri[ilocal] == 0) tri[ilocal] = -1;
else {
if (nlocal_bonus == nmax_bonus) grow_bonus();
double *quat = bonus[nlocal_bonus].quat;
double *c1 = bonus[nlocal_bonus].c1;
double *c2 = bonus[nlocal_bonus].c2;
double *c3 = bonus[nlocal_bonus].c3;
double *inertia = bonus[nlocal_bonus].inertia;
quat[0] = buf[m++];
quat[1] = buf[m++];
quat[2] = buf[m++];
quat[3] = buf[m++];
c1[0] = buf[m++];
c1[1] = buf[m++];
c1[2] = buf[m++];
c2[0] = buf[m++];
c2[1] = buf[m++];
c2[2] = buf[m++];
c3[0] = buf[m++];
c3[1] = buf[m++];
c3[2] = buf[m++];
inertia[0] = buf[m++];
inertia[1] = buf[m++];
inertia[2] = buf[m++];
bonus[nlocal_bonus].ilocal = ilocal;
tri[ilocal] = nlocal_bonus++;
}
return m;
}
/* ----------------------------------------------------------------------
size of restart data for all atoms owned by this proc
include extra data stored by fixes
------------------------------------------------------------------------- */
int AtomVecTri::size_restart_bonus()
{
int i;
int n = 0;
int nlocal = atom->nlocal;
for (i = 0; i < nlocal; i++) {
if (tri[i] >= 0) n += size_restart_bonus_one;
else n++;
}
return n;
}
/* ----------------------------------------------------------------------
unpack data for one atom from restart file including bonus data
------------------------------------------------------------------------- */
int AtomVecTri::pack_restart_bonus(int i, double *buf)
{
int m = 0;
if (tri[i] < 0) buf[m++] = ubuf(0).d;
else {
buf[m++] = ubuf(1).d;
int j = tri[i];
double *quat = bonus[j].quat;
double *c1 = bonus[j].c1;
double *c2 = bonus[j].c2;
double *c3 = bonus[j].c3;
double *inertia = bonus[j].inertia;
buf[m++] = quat[0];
buf[m++] = quat[1];
buf[m++] = quat[2];
buf[m++] = quat[3];
buf[m++] = c1[0];
buf[m++] = c1[1];
buf[m++] = c1[2];
buf[m++] = c2[0];
buf[m++] = c2[1];
buf[m++] = c2[2];
buf[m++] = c3[0];
buf[m++] = c3[1];
buf[m++] = c3[2];
buf[m++] = inertia[0];
buf[m++] = inertia[1];
buf[m++] = inertia[2];
}
return m;
}
/* ----------------------------------------------------------------------
unpack data for one atom from restart file including bonus data
------------------------------------------------------------------------- */
int AtomVecTri::unpack_restart_bonus(int ilocal, double *buf)
{
int m = 0;
tri[ilocal] = (int) ubuf(buf[m++]).i;
if (tri[ilocal] == 0) tri[ilocal] = -1;
else {
if (nlocal_bonus == nmax_bonus) grow_bonus();
double *quat = bonus[nlocal_bonus].quat;
double *c1 = bonus[nlocal_bonus].c1;
double *c2 = bonus[nlocal_bonus].c2;
double *c3 = bonus[nlocal_bonus].c3;
double *inertia = bonus[nlocal_bonus].inertia;
quat[0] = buf[m++];
quat[1] = buf[m++];
quat[2] = buf[m++];
quat[3] = buf[m++];
c1[0] = buf[m++];
c1[1] = buf[m++];
c1[2] = buf[m++];
c2[0] = buf[m++];
c2[1] = buf[m++];
c2[2] = buf[m++];
c3[0] = buf[m++];
c3[1] = buf[m++];
c3[2] = buf[m++];
inertia[0] = buf[m++];
inertia[1] = buf[m++];
inertia[2] = buf[m++];
bonus[nlocal_bonus].ilocal = ilocal;
tri[ilocal] = nlocal_bonus++;
}
return m;
}
/* ----------------------------------------------------------------------
unpack one line from Tris section of data file
------------------------------------------------------------------------- */
void AtomVecTri::data_atom_bonus(int m, const std::vector<std::string> &values)
{
if (tri[m]) error->one(FLERR,"Assigning tri parameters to non-tri atom");
if (nlocal_bonus == nmax_bonus) grow_bonus();
double c1[3],c2[3],c3[3];
int ivalue = 1;
c1[0] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c1[1] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c1[2] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c2[0] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c2[1] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c2[2] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c3[0] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c3[1] = utils::numeric(FLERR,values[ivalue++],true,lmp);
c3[2] = utils::numeric(FLERR,values[ivalue++],true,lmp);
// check for duplicate points
if (c1[0] == c2[0] && c1[1] == c2[1] && c1[2] == c2[2])
error->one(FLERR,"Invalid shape in Triangles section of data file");
if (c1[0] == c3[0] && c1[1] == c3[1] && c1[2] == c3[2])
error->one(FLERR,"Invalid shape in Triangles section of data file");
if (c2[0] == c3[0] && c2[1] == c3[1] && c2[2] == c3[2])
error->one(FLERR,"Invalid shape in Triangles section of data file");
// size = length of one edge
double c2mc1[3],c3mc1[3];
MathExtra::sub3(c2,c1,c2mc1);
MathExtra::sub3(c3,c1,c3mc1);
double size = MAX(MathExtra::len3(c2mc1),MathExtra::len3(c3mc1));
// centroid = 1/3 of sum of vertices
double centroid[3];
centroid[0] = (c1[0]+c2[0]+c3[0]) / 3.0;
centroid[1] = (c1[1]+c2[1]+c3[1]) / 3.0;
centroid[2] = (c1[2]+c2[2]+c3[2]) / 3.0;
double dx = centroid[0] - x[m][0];
double dy = centroid[1] - x[m][1];
double dz = centroid[2] - x[m][2];
double delta = sqrt(dx*dx + dy*dy + dz*dz);
if (delta/size > EPSILON)
error->one(FLERR,"Inconsistent triangle in data file");
x[m][0] = centroid[0];
x[m][1] = centroid[1];
x[m][2] = centroid[2];
// reset tri radius and mass
// rmass currently holds density
// tri area = 0.5 len(U x V), where U,V are edge vectors from one vertex
double c4[3];
MathExtra::sub3(c1,centroid,c4);
radius[m] = MathExtra::lensq3(c4);
MathExtra::sub3(c2,centroid,c4);
radius[m] = MAX(radius[m],MathExtra::lensq3(c4));
MathExtra::sub3(c3,centroid,c4);
radius[m] = MAX(radius[m],MathExtra::lensq3(c4));
radius[m] = sqrt(radius[m]);
double norm[3];
MathExtra::cross3(c2mc1,c3mc1,norm);
double area = 0.5 * MathExtra::len3(norm);
rmass[m] *= area;
// inertia = inertia tensor of triangle as 6-vector in Voigt ordering
double inertia[6];
MathExtra::inertia_triangle(c1,c2,c3,rmass[m],inertia);
// diagonalize inertia tensor via Jacobi rotations
// bonus[].inertia = 3 eigenvalues = principal moments of inertia
// evectors and exzy_space = 3 evectors = principal axes of triangle
double tensor[3][3],evectors[3][3];
tensor[0][0] = inertia[0];
tensor[1][1] = inertia[1];
tensor[2][2] = inertia[2];
tensor[1][2] = tensor[2][1] = inertia[3];
tensor[0][2] = tensor[2][0] = inertia[4];
tensor[0][1] = tensor[1][0] = inertia[5];
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];
ex_space[0] = evectors[0][0];
ex_space[1] = evectors[1][0];
ex_space[2] = evectors[2][0];
ey_space[0] = evectors[0][1];
ey_space[1] = evectors[1][1];
ey_space[2] = evectors[2][1];
ez_space[0] = evectors[0][2];
ez_space[1] = evectors[1][2];
ez_space[2] = evectors[2][2];
// enforce 3 orthogonal vectors as a right-handed coordinate system
// flip 3rd vector if needed
MathExtra::cross3(ex_space,ey_space,norm);
if (MathExtra::dot3(norm,ez_space) < 0.0) MathExtra::negate3(ez_space);
// create initial quaternion
MathExtra::exyz_to_q(ex_space,ey_space,ez_space,bonus[nlocal_bonus].quat);
// bonus c1,c2,c3 = displacement of c1,c2,c3 from centroid
// in basis of principal axes
double disp[3];
MathExtra::sub3(c1,centroid,disp);
MathExtra::transpose_matvec(ex_space,ey_space,ez_space,
disp,bonus[nlocal_bonus].c1);
MathExtra::sub3(c2,centroid,disp);
MathExtra::transpose_matvec(ex_space,ey_space,ez_space,
disp,bonus[nlocal_bonus].c2);
MathExtra::sub3(c3,centroid,disp);
MathExtra::transpose_matvec(ex_space,ey_space,ez_space,
disp,bonus[nlocal_bonus].c3);
bonus[nlocal_bonus].ilocal = m;
tri[m] = nlocal_bonus++;
}
/* ----------------------------------------------------------------------
return # of bytes of allocated bonus memory
------------------------------------------------------------------------- */
double AtomVecTri::memory_usage_bonus()
{
double bytes = 0;
bytes += (double)nmax_bonus*sizeof(Bonus);
return bytes;
}
/* ----------------------------------------------------------------------
create one atom of itype at coord
set other values to defaults
------------------------------------------------------------------------- */
void AtomVecTri::create_atom_post(int ilocal)
{
double radius_one = 0.5;
radius[ilocal] = radius_one;
rmass[ilocal] = 4.0*MY_PI/3.0 * radius_one*radius_one*radius_one;
tri[ilocal] = -1;
}
/* ----------------------------------------------------------------------
modify what AtomVec::data_atom() just unpacked
or initialize other atom quantities
------------------------------------------------------------------------- */
void AtomVecTri::data_atom_post(int ilocal)
{
tri_flag = tri[ilocal];
if (tri_flag == 0) tri_flag = -1;
else if (tri_flag == 1) tri_flag = 0;
else error->one(FLERR,"Invalid tri flag in Atoms section of data file");
tri[ilocal] = tri_flag;
if (rmass[ilocal] <= 0.0)
error->one(FLERR,"Invalid density in Atoms section of data file");
if (tri_flag < 0) {
double radius_one = 0.5;
radius[ilocal] = radius_one;
rmass[ilocal] *= 4.0*MY_PI/3.0 * radius_one*radius_one*radius_one;
} else radius[ilocal] = 0.0;
omega[ilocal][0] = 0.0;
omega[ilocal][1] = 0.0;
omega[ilocal][2] = 0.0;
angmom[ilocal][0] = 0.0;
angmom[ilocal][1] = 0.0;
angmom[ilocal][2] = 0.0;
}
/* ----------------------------------------------------------------------
modify values for AtomVec::pack_data() to pack
------------------------------------------------------------------------- */
void AtomVecTri::pack_data_pre(int ilocal)
{
tri_flag = tri[ilocal];
rmass_one = rmass[ilocal];
if (tri_flag < 0) tri[ilocal] = 0;
else tri[ilocal] = 1;
if (tri_flag < 0) {
double radius_one = radius[ilocal];
rmass[ilocal] /= 4.0*MY_PI/3.0 * radius_one*radius_one*radius_one;
} else {
double c2mc1[3],c3mc1[3],norm[3];
MathExtra::sub3(bonus[tri_flag].c2,bonus[tri_flag].c1,c2mc1);
MathExtra::sub3(bonus[tri_flag].c3,bonus[tri_flag].c1,c3mc1);
MathExtra::cross3(c2mc1,c3mc1,norm);
double area = 0.5 * MathExtra::len3(norm);
rmass[ilocal] /= area;
}
}
/* ----------------------------------------------------------------------
unmodify values packed by AtomVec::pack_data()
------------------------------------------------------------------------- */
void AtomVecTri::pack_data_post(int ilocal)
{
tri[ilocal] = tri_flag;
rmass[ilocal] = rmass_one;
}
/* ----------------------------------------------------------------------
pack bonus tri info for writing to data file
if buf is nullptr, just return buffer size
------------------------------------------------------------------------- */
int AtomVecTri::pack_data_bonus(double *buf, int /*flag*/)
{
int i,j;
double xc,yc,zc;
double dc1[3],dc2[3],dc3[3];
double p[3][3];
double **x = atom->x;
tagint *tag = atom->tag;
int nlocal = atom->nlocal;
int m = 0;
for (i = 0; i < nlocal; i++) {
if (tri[i] < 0) continue;
if (buf) {
buf[m++] = ubuf(tag[i]).d;
j = tri[i];
MathExtra::quat_to_mat(bonus[j].quat,p);
MathExtra::matvec(p,bonus[j].c1,dc1);
MathExtra::matvec(p,bonus[j].c2,dc2);
MathExtra::matvec(p,bonus[j].c3,dc3);
xc = x[i][0];
yc = x[i][1];
zc = x[i][2];
buf[m++] = xc + dc1[0];
buf[m++] = yc + dc1[1];
buf[m++] = zc + dc1[2];
buf[m++] = xc + dc2[0];
buf[m++] = yc + dc2[1];
buf[m++] = zc + dc2[2];
buf[m++] = xc + dc3[0];
buf[m++] = yc + dc3[1];
buf[m++] = zc + dc3[2];
} else m += size_data_bonus;
}
return m;
}
/* ----------------------------------------------------------------------
write bonus tri info to data file
------------------------------------------------------------------------- */
void AtomVecTri::write_data_bonus(FILE *fp, int n, double *buf, int /*flag*/)
{
int i = 0;
while (i < n) {
fmt::print(fp,"{} {} {} {} {} {} {} {} {} {}\n", ubuf(buf[i]).i,
buf[i+1],buf[i+2],buf[i+3],buf[i+4],buf[i+5],buf[i+6],
buf[i+7],buf[i+8],buf[i+9]);
i += size_data_bonus;
}
}
/* ----------------------------------------------------------------------
set equilateral tri of size in bonus data for particle I
oriented symmetrically in xy plane
this may create or delete entry in bonus data
------------------------------------------------------------------------- */
void AtomVecTri::set_equilateral(int i, double size)
{
// also set radius = distance from center to corner-pt = len(c1)
// unless size = 0.0, then set diameter = 1.0
if (tri[i] < 0) {
if (size == 0.0) return;
if (nlocal_bonus == nmax_bonus) grow_bonus();
double *quat = bonus[nlocal_bonus].quat;
double *c1 = bonus[nlocal_bonus].c1;
double *c2 = bonus[nlocal_bonus].c2;
double *c3 = bonus[nlocal_bonus].c3;
double *inertia = bonus[nlocal_bonus].inertia;
quat[0] = 1.0;
quat[1] = 0.0;
quat[2] = 0.0;
quat[3] = 0.0;
c1[0] = -size/2.0;
c1[1] = -sqrt(3.0)/2.0 * size / 3.0;
c1[2] = 0.0;
c2[0] = size/2.0;
c2[1] = -sqrt(3.0)/2.0 * size / 3.0;
c2[2] = 0.0;
c3[0] = 0.0;
c3[1] = sqrt(3.0)/2.0 * size * 2.0/3.0;
c3[2] = 0.0;
inertia[0] = sqrt(3.0)/96.0 * size*size*size*size;
inertia[1] = sqrt(3.0)/96.0 * size*size*size*size;
inertia[2] = sqrt(3.0)/48.0 * size*size*size*size;
radius[i] = MathExtra::len3(c1);
bonus[nlocal_bonus].ilocal = i;
tri[i] = nlocal_bonus++;
} else if (size == 0.0) {
radius[i] = 0.5;
copy_bonus_all(nlocal_bonus-1,tri[i]);
nlocal_bonus--;
tri[i] = -1;
} else {
double *c1 = bonus[tri[i]].c1;
double *c2 = bonus[tri[i]].c2;
double *c3 = bonus[tri[i]].c3;
double *inertia = bonus[tri[i]].inertia;
c1[0] = -size/2.0;
c1[1] = -sqrt(3.0)/2.0 * size / 3.0;
c1[2] = 0.0;
c2[0] = size/2.0;
c2[1] = -sqrt(3.0)/2.0 * size / 3.0;
c2[2] = 0.0;
c3[0] = 0.0;
c3[1] = sqrt(3.0)/2.0 * size * 2.0/3.0;
c3[2] = 0.0;
inertia[0] = sqrt(3.0)/96.0 * size*size*size*size;
inertia[1] = sqrt(3.0)/96.0 * size*size*size*size;
inertia[2] = sqrt(3.0)/48.0 * size*size*size*size;
radius[i] = MathExtra::len3(c1);
}
}
Reference in New Issue View Git Blame Copy Permalink