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/* Ergo, version 3.5, a program for linear scaling electronic structure
* calculations.
* Copyright (C) 2016 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
* and Anastasia Kruchinina.
*
* This program 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 3 of the License, or
* (at your option) any later version.
*
* This program 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 this program. If not, see <http://www.gnu.org/licenses/>.
*
* Primary academic reference:
* KohnâSham Density Functional Theory Electronic Structure Calculations
* with Linearly Scaling Computational Time and Memory Usage,
* Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek,
* J. Chem. Theory Comput. 7, 340 (2011),
* <http://dx.doi.org/10.1021/ct100611z>
*
* For further information about Ergo, see <http://www.ergoscf.org>.
*/
#include <memory.h>
#include "solve_lin_eq_syst.h"
#include "mat_gblas.h"
#include "output.h"
int
solve_linear_equation_system(int n,
const ergo_real* matrix,
const ergo_real* RHS,
ergo_real* resultVector)
{
integer NRHS = 1;
integer n2 = n;
integer info;
ergo_real* A = new ergo_real[n*n];
integer* IPIV = new integer[n];
memcpy(A, matrix, n*n*sizeof(ergo_real));
memcpy(resultVector, RHS, n*sizeof(ergo_real));
template_lapack_gesv(&n2, &NRHS, A, &n2, IPIV, resultVector, &n2, &info);
if(info != 0)
{
do_output(LOG_CAT_ERROR, LOG_AREA_LOWLEVEL, "ERROR in dgesv_");
return -1;
}
delete [] A;
delete [] IPIV;
return 0;
}
#if 0
int
main()
{
printf("hello\n");
integer n = 3;
ergo_real A[n*n];
A[0] = 1;
A[1] = 2;
A[2] = 0;
A[3] = 0;
A[4] = 3;
A[5] = 3;
A[6] = 1;
A[7] = 1;
A[8] = 0;
ergo_real RHS[n];
RHS[0] = 1;
RHS[1] = 0;
RHS[2] = 1;
integer IPIV[n];
integer NRHS = 1;
integer info = -1;
dgesv_(&n, &NRHS, A, &n, IPIV, RHS, &n, &info);
if(info != 0)
{
printf("ERROR!\n");
return -1;
}
printf("OK\n");
printf("solution:\n");
int i;
for(i = 0; i < n; i++)
printf("%22.11f\n", (double)RHS[i]);
return 0;
}
#endif
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