double SpinAdapted::det_energy (const Slater& s)
{
// energy of a single slater determinant, used in truncation
double energy = 0;
Slater bra;
Slater ket;
for (int i = 0; i < s.size (); ++i)
{
ket = s;
bra = s;
energy += ket.trace (bra.d(i).c(i)) *
v_1 (i,i);
}
// diagonal
for (int i = 0; i < s.size (); ++i)
for (int j = 0; j < s.size (); ++j)
{
ket = s;
bra = s;
energy += .5 * ket.trace (bra.d(j).d(i).c(j).c(i))
* (v_2 (i,j,j,i) - v_2 (i,j,i,j));
}
return energy;
}
char *mychar(int *iactuel, int chainei, char **tab, t_var2 *var2)
{
int i;
int v;
v = 0;
i = 0;
while (var2->tetri < var2->nbt)
{
v = backtrack(iactuel, tab, var2);
if (v == 1)
{
var2->tetri++;
if (var2->tetri < var2->nbt)
{
var2->carac++;
iactuel[var2->tetri] = 0;
chainei = 0;
}
}
else if (v == 0)
v_0(var2, iactuel);
else if (v == 2)
v_2(var2, iactuel);
}
return (var2->chaine);
}
float Shape::avgEdgeLength()
{
float total_length = 0.0;
for (int i = 0; i < face_list.size() / 3; ++i)
{
int v[3] = { face_list[3 * i + 0], face_list[3 * i + 1], face_list[3 * i + 2] };
Vector3f v_0(vertex_list[3 * v[0] + 0], vertex_list[3 * v[0] + 1], vertex_list[3 * v[0] + 2]);
Vector3f v_1(vertex_list[3 * v[1] + 0], vertex_list[3 * v[1] + 1], vertex_list[3 * v[1] + 2]);
Vector3f v_2(vertex_list[3 * v[2] + 0], vertex_list[3 * v[2] + 1], vertex_list[3 * v[2] + 2]);
total_length += (v_0 - v_1).norm() + (v_1 - v_2).norm() + (v_2 - v_0).norm();
}
return total_length / face_list.size();
}
