Commit 942970fc by Francois Gygi

defined my_col_ctxt_ to store single column Context.Context allocation done with…

defined my_col_ctxt_ to store single column Context.Context allocation done with one call per column, to conform to MPI standard rules (MPI_Comm_create must be called on all tasks with the same arguments).


git-svn-id: http://qboxcode.org/svn/qb/trunk@295 cba15fb0-1239-40c8-b417-11db7ca47a34
parent ca0b0a6b
......@@ -3,7 +3,7 @@
// SlaterDet.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: SlaterDet.h,v 1.17 2004-09-14 22:24:11 fgygi Exp $
// $Id: SlaterDet.h,v 1.18 2004-11-10 22:42:23 fgygi Exp $
#ifndef SLATERDET_H
#define SLATERDET_H
......@@ -31,7 +31,8 @@ class SlaterDet
private:
const Context& ctxt_;
Basis basis_;
Context* my_col_ctxt_;
Basis* basis_;
ComplexMatrix c_;
vector<double> occ_;
vector<double> eig_;
......@@ -47,8 +48,8 @@ class SlaterDet
SlaterDet(const SlaterDet& rhs);
~SlaterDet();
const Context& context(void) const { return ctxt_; }
const Basis& basis(void) const { return basis_; }
const D3vector kpoint(void) const { return basis_.kpoint(); }
const Basis& basis(void) const { return *basis_; }
const D3vector kpoint(void) const { return basis_->kpoint(); }
const ComplexMatrix& c(void) const { return c_; }
ComplexMatrix& c(void) { return c_; }
const vector<double>& occ(void) const { return occ_; }
......
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