1 /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
2 Copyright (c) 2011-2021 The plumed team
3 (see the PEOPLE file at the root of the distribution for a list of names)
4
5 See http://www.plumed.org for more information.
6
7 This file is part of plumed, version 2.
8
9 plumed is free software: you can redistribute it and/or modify
10 it under the terms of the GNU Lesser General Public License as published by
11 the Free Software Foundation, either version 3 of the License, or
12 (at your option) any later version.
13
14 plumed is distributed in the hope that it will be useful,
15 but WITHOUT ANY WARRANTY; without even the implied warranty of
16 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 GNU Lesser General Public License for more details.
18
19 You should have received a copy of the GNU Lesser General Public License
20 along with plumed. If not, see <http://www.gnu.org/licenses/>.
21 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
22 #include "Tensor.h"
23 #include "Exception.h"
24
25 #include "lapack/lapack.h"
26
27 namespace PLMD {
28
29 /// Small auxiliary class.
30 /// I use it to test a few things that I am scary of and could introduce bugs.
31 /// It checks at startup that Tensor satifies some requirement so as to allow
32 /// accessing a vector of tensors as a 9 times longer array of doubles.
33 static class TensorChecks {
34 public:
TensorChecks()35 TensorChecks() {
36 if(sizeof(Tensor)==9*sizeof(double)) return;
37 plumed_merror("sizeof(Tensor)!=9*sizeof(double). PLUMED cannot work properly in these conditions.");
38 }
39 } checks;
40
local_dsyevr(const char * jobz,const char * range,const char * uplo,int * n,double * a,int * lda,double * vl,double * vu,int * il,int * iu,double * abstol,int * m,double * w,double * z__,int * ldz,int * isuppz,double * work,int * lwork,int * iwork,int * liwork,int * info)41 void TensorGenericAux::local_dsyevr(const char *jobz, const char *range, const char *uplo, int *n,
42 double *a, int *lda, double *vl, double *vu, int *
43 il, int *iu, double *abstol, int *m, double *w,
44 double *z__, int *ldz, int *isuppz, double *work,
45 int *lwork, int *iwork, int *liwork, int *info) {
46 plumed_lapack_dsyevr(jobz,range,uplo,n,a,lda,vl,vu,il,iu,abstol,m,w,z__,ldz,isuppz,work,lwork,iwork,liwork,info);
47 }
48
49
50 }
51
52