Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2011-2020 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:
      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             : 
      41      556244 : 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      556244 :   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      556244 : }
      48             : 
      49             : 
      50             : }
      51             :