/*******************************************************************
*
* NAME : accept_new_position()
*
*
* DESCRIPTION : Updates old matrices with the new WF and inverse.
*
*/
void Slater::accept_new_position() {
if (active_particle < N) {
for (int i = 0; i < N; i++)
Dp(i, active_particle) = Dp_new(i, active_particle);
Dp_inv = Dp_inv_new;
} else {
for (int i = 0; i < N; i++)
Dm(i, active_particle - N) = Dm_new(i, active_particle - N);
Dm_inv = Dm_inv_new;
}
}
// transverse comoving distance and vectorizations
static PyObject*
PyCosmoObject_Dm(struct PyCosmoObject* self, PyObject* args) {
double zmin, zmax;
double d;
if (!PyArg_ParseTuple(args, (char*)"dd", &zmin, &zmax)) {
return NULL;
}
d = Dm(self->cosmo, zmin, zmax);
return PyFloat_FromDouble(d);
}
Mat3d ReducedStVKCubatureForceModel::computeElasticDmInv(const double *reference_pos) const
{
//reference_pos is 12x1 vector
Mat3d Dm(0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
for(int i=0;i<3;++i)
{
for(int j=0;j<3;++j)
Dm[j][i]=reference_pos[3*i+j]-reference_pos[9+j];
// Dm[i][1]=reference_pos[3+i]-reference_pos[9+i];
// Dm[i][2]=reference_pos[6+i]-reference_pos[9+i];
}
Mat3d DmInv=inv(Dm);
return DmInv;
}
/*******************************************************************
*
* NAME : init();
*
*
* DESCRIPTION : Initializes the Slater matrix with position
* values.
*
*/
void Slater::init() {
// Updating the whole matrix.
for (int i = 0; i < N; i++) {
for (int j = 0; j < N; j++) {
Dp(j, i) = orbital->evaluate(r_new.row(i), nx(j), ny(j));
Dm(j, i) = orbital->evaluate(r_new.row(i + N), nx(j), ny(j));
}
}
Dp_new = Dp;
Dm_new = Dm;
// Calulating the inverse using Armadillo.
Dp_inv = inv(Dp).t();
Dm_inv = inv(Dm).t();
Dp_inv_new = Dp_inv;
Dm_inv_new = Dm_inv;
}
Mat3d ReducedStVKCubatureForceModel::computeDmInv(const int &ele) const
{//3x3
int *global_idx=new int[4];
Vec3d *vert_pos=new Vec3d[4];
for(int j=0;j<4;++j)
{
global_idx[j]=volumetric_mesh_->getVertexIndex(ele,j);
vert_pos[j]=*volumetric_mesh_->getVertex(global_idx[j]);
}
Mat3d Dm(0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0);
for(int i=0;i<3;++i)
{
Dm[i][0]=vert_pos[0][i]-vert_pos[3][i];
Dm[i][1]=vert_pos[1][i]-vert_pos[3][i];
Dm[i][2]=vert_pos[2][i]-vert_pos[3][i];
}
Mat3d DmInv=inv(Dm);
delete[] global_idx;
delete[] vert_pos;
return DmInv;
}
static PyObject*
PyCosmoObject_Dm_vec2(struct PyCosmoObject* self, PyObject* args) {
PyObject* zmaxObj=NULL, *resObj=NULL;;
double zmin, *zmax, *res;
npy_intp n, i;
if (!PyArg_ParseTuple(args, (char*)"dO", &zmin, &zmaxObj)) {
return NULL;
}
n = PyArray_SIZE(zmaxObj);
zmax = (double* )PyArray_DATA(zmaxObj);
resObj = PyArray_ZEROS(1, &n, NPY_FLOAT64, 0);
res = (double* )PyArray_DATA(resObj);
for (i=0; i<n; i++) {
res[i] = Dm(self->cosmo, zmin, zmax[i]);
}
return resObj;
}
