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Moved to QMCApp. 

git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@343 e5b18d87-469d-4833-9cc0-8cdfa06e9491
This commit is contained in:
Jeongnim Kim 2005-05-14 17:58:36 +00:00
parent de94bc69e5
commit 14ca6f0c08
1 changed files with 0 additions and 69 deletions
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69
src/QMC/mo2grid3d_main.cpp
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//////////////////////////////////////////////////////////////////
// (c) Copyright 2003- by Jeongnim Kim
//////////////////////////////////////////////////////////////////
//////////////////////////////////////////////////////////////////
// Jeongnim Kim
// National Center for Supercomputing Applications &
// Materials Computation Center
// University of Illinois, Urbana-Champaign
// Urbana, IL 61801
// e-mail: jnkim@ncsa.uiuc.edu
// Tel: 217-244-6319 (NCSA) 217-333-3324 (MCC)
//
// Supported by
// National Center for Supercomputing Applications, UIUC
// Materials Computation Center, UIUC
// Department of Physics, Ohio State University
// Ohio Supercomputer Center
//////////////////////////////////////////////////////////////////
// -*- C++ -*-
#include "Message/Communicate.h"
#include "Utilities/OhmmsInfo.h"
#include "QMC/MO2Grid3D.h"
/**file main.cpp
*@brief a main function for QMC simulation.
*Actual works are done by QMCApps and its derived classe.
*For other simulations, one can derive a class from QMCApps, similarly to MolecuApps.
*
*Only requirements are the constructor and init function to initialize.
*/
int main(int argc, char **argv) {
OHMMS::Controller->initialize(argc,argv);
OhmmsInfo welcome(argc,argv,OHMMS::Controller->mycontext());
ohmmsqmc::MO2Grid3D qmc(argc,argv);
if(argc>1) {
// build an XML tree from a the file;
xmlDocPtr m_doc = xmlParseFile(argv[1]);
if (m_doc == NULL) {
ERRORMSG("File " << argv[1] << " is invalid")
xmlFreeDoc(m_doc);
return 1;
}
// Check the document is of the right kind
xmlNodePtr cur = xmlDocGetRootElement(m_doc);
if (cur == NULL) {
ERRORMSG("Empty document");
xmlFreeDoc(m_doc);
return 1;
}
qmc.run(cur);
} else {
WARNMSG("No argument is given. Assume that does not need an input file")
qmc.run(NULL);
}
LOGMSG("Bye")
OHMMS::Controller->finalize();
return 0;
}
/***************************************************************************
* $RCSfile$ $Author$
* $Revision$ $Date$
* $Id$
***************************************************************************/