/*
DFT++ is a density functional package developed by the research group
of Professor Tomas Arias
Copyright 1996-2003 Sohrab Ismail-Beigi
This file is part of DFT++.
DFT++ is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
DFT++ is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with DFT++; if not, write to the Free Software
Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
Please see the file CREDITS for a list of authors.
For academic users, we request that publications using results obtained with
this software reference
"New algebraic formulation of density functional calculation," by Sohrab Ismail-Beigi
and T.A. Arias, Computer Physics Communications 128:1-2, 1-45 (June 2000).
and, if using the wavelet basis, further reference
"Multiresolution analysis of electronic structure: semicardinal and wavelet bases,"
T.A. Arias, Reviews of Modern Physics 71:1, 267-311 (January 1999).
and
"Robust ab initio calculation of condensed matter: transparent convergence through
semicardinal multiresolution analysis,'' I.P. Daykov, T.A. Arias, and
Torkel D. Engeness, Physical Review Letters, 90:21, 216402 (May 2003).
For your convenience, preprints of the above articles may be obtained from
http://arXiv.org/abs/cond-mat/9909130, 9805262, and 0204411, respectively.
*/
#include "header.h"
//ipd: think about better structure for the threaded part
#ifdef DFT_THREAD
static void*
apply_L_thread(void *arg)
{
dft_thread_data *data = (dft_thread_data *)arg;
ColumnBundle *in = (ColumnBundle *) data->p1;
ColumnBundle *out = (ColumnBundle *) data->p2;
int start_col = data->start;
int ncols_todo = data->n;
// do the work
int i;
for(i = start_col; i < start_col + ncols_todo; i++)
apply_L(*in->col[i], *out->col[i]);
return NULL;
}
#endif
void
L(const ColumnBundle &input, ColumnBundle &output)
{
#ifdef DFT_THREAD
dft_call_threads(input.my_ncols,
(void *)&input, (void *)&output, NULL, NULL, NULL,
0,0,0,0,0,0,
apply_L_thread);
#else
int ii;
for(ii=0;ii<input.my_ncols;ii++){
apply_L(*input.col[ii], *output.col[ii]);
}
#endif
}
ColumnBundle
L(const ColumnBundle &input)
{
ColumnBundle output(input);
L(input,output);
return output;
}
void
O(const ColumnBundle &input, ColumnBundle &output)
{
int ii;
for(ii=0;ii<input.my_ncols;ii++)
apply_O(*input.col[ii], *output.col[ii]);
}
ColumnBundle
O(const ColumnBundle &input)
{
ColumnBundle output(input);
O(input,output);
return(output);
}
void
J(const ColumnBundle &input, ColumnBundle &output)
{
int ii;
for(ii=0;ii<input.my_ncols;ii++)
apply_J(*input.col[ii], *output.col[ii]);
}
ColumnBundle
J(const ColumnBundle &input)
{
ColumnBundle output(input);
J(input, output);
return(output);
}
void
I(const ColumnBundle &input, ColumnBundle &output)
{
int ii;
for(ii=0;ii<input.my_ncols;ii++)
apply_I(*input.col[ii], *output.col[ii]);
}
ColumnBundle
I(const ColumnBundle &input)
{
ColumnBundle output(input);
I(input, output);
return(output);
}
void
Idag( const ColumnBundle &input, ColumnBundle &output)
{
int ii;
for(ii=0;ii<input.my_ncols;ii++)
apply_Idag(*input.col[ii], *output.col[ii]);
}
ColumnBundle
Idag(const ColumnBundle &input)
{
ColumnBundle output(input);
Idag(input, output);
return(output);
}
/////// Now add the unary operators/transforms acting on columns
GenericColumn
I(const GenericColumn &input)
{
GenericColumn output(input);
apply_I(input,output);
return output;
}
GenericColumn
J(const GenericColumn &input)
{
GenericColumn output(input);
apply_J(input,output);
return output;
}
GenericColumn
Idag(const GenericColumn &input)
{
GenericColumn output(input);
apply_Idag(input,output);
return output;
}
GenericColumn
Jdag(const GenericColumn &input)
{
GenericColumn output(input);
apply_Jdag(input,output);
return output;
}
GenericColumn
L(const GenericColumn &input)
{
GenericColumn output(input);
apply_L(input,output);
return output;
}
GenericColumn
invL(const GenericColumn &input)
{
GenericColumn output(input);
apply_invL(input,output);
return output;
}
GenericColumn
O(const GenericColumn &input)
{
GenericColumn output(input);
apply_O(input,output);
return output;
}
GenericColumn
Obar(const GenericColumn &input)
{
GenericColumn output(input);
apply_Obar(input,output);
return output;
}
/* Wrappers for real-space derivative operators and their daggers (d=xyz) */
GenericColumn
D(int d,const GenericColumn &input)
{
GenericColumn output(input);
int dag; apply_D(d,dag=0,input,output);
return output;
}
GenericColumn
Ddag(int d,const GenericColumn &input)
{
GenericColumn output(input);
int dag; apply_D(d,dag=1,input,output);
return output;
}
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