Commit ff4d6a89 by Francois Gygi

added copyright header


git-svn-id: http://qboxcode.org/svn/qb/trunk@638 cba15fb0-1239-40c8-b417-11db7ca47a34
parent b5800951
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AndersonMixer.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AndersonMixer.C,v 1.5 2007-10-19 16:24:03 fgygi Exp $
// $Id: AndersonMixer.C,v 1.6 2008-08-13 06:39:42 fgygi Exp $
#include "AndersonMixer.h"
#include "blas.h"
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AndersonMixer.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AndersonMixer.h,v 1.5 2007-10-19 16:24:03 fgygi Exp $
// $Id: AndersonMixer.h,v 1.6 2008-08-13 06:39:42 fgygi Exp $
#ifndef ANDERSONMIXER_H
#define ANDERSONMIXER_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AngleCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AngleCmd.h,v 1.3 2008-02-12 05:39:19 fgygi Exp $
// $Id: AngleCmd.h,v 1.4 2008-08-13 06:39:42 fgygi Exp $
#ifndef ANGLECMD_H
#define ANGLECMD_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AngleConstraint.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AngleConstraint.C,v 1.4 2008-02-12 05:39:18 fgygi Exp $
// $Id: AngleConstraint.C,v 1.5 2008-08-13 06:39:42 fgygi Exp $
#include "AngleConstraint.h"
#include "AtomSet.h"
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AngleConstraint.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AngleConstraint.h,v 1.4 2007-10-19 16:24:03 fgygi Exp $
// $Id: AngleConstraint.h,v 1.5 2008-08-13 06:39:42 fgygi Exp $
#ifndef ANGLECONSTRAINT_H
#define ANGLECONSTRAINT_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// Atom.C:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Atom.C,v 1.3 2003-05-16 16:14:00 fgygi Exp $
// $Id: Atom.C,v 1.4 2008-08-13 06:39:42 fgygi Exp $
#include "Atom.h"
#include <iomanip>
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// Atom.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Atom.h,v 1.4 2007-10-19 16:24:03 fgygi Exp $
// $Id: Atom.h,v 1.5 2008-08-13 06:39:42 fgygi Exp $
#ifndef ATOM_H
#define ATOM_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AtomCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomCmd.h,v 1.8 2007-10-19 16:24:03 fgygi Exp $
// $Id: AtomCmd.h,v 1.9 2008-08-13 06:39:42 fgygi Exp $
#ifndef ATOMCMD_H
#define ATOMCMD_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AtomSet.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomSet.C,v 1.22 2008-03-21 00:25:46 fgygi Exp $
// $Id: AtomSet.C,v 1.23 2008-08-13 06:39:42 fgygi Exp $
#include "AtomSet.h"
#include "Species.h"
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AtomSet.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomSet.h,v 1.20 2008-03-21 00:26:19 fgygi Exp $
// $Id: AtomSet.h,v 1.21 2008-08-13 06:39:42 fgygi Exp $
#ifndef ATOMSET_H
#define ATOMSET_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AtomSetHandler.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomSetHandler.C,v 1.11 2008-03-05 04:04:48 fgygi Exp $
// $Id: AtomSetHandler.C,v 1.12 2008-08-13 06:39:42 fgygi Exp $
#if USE_XERCES
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AtomSetHandler.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomSetHandler.h,v 1.3 2007-10-19 16:24:04 fgygi Exp $
// $Id: AtomSetHandler.h,v 1.4 2008-08-13 06:39:42 fgygi Exp $
#ifndef ATOMSETHANDLER_H
#define ATOMSETHANDLER_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// AtomsDyn.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomsDyn.h,v 1.4 2008-03-26 04:57:54 fgygi Exp $
// $Id: AtomsDyn.h,v 1.5 2008-08-13 06:39:42 fgygi Exp $
#ifndef ATOMSDYN_H
#define ATOMSDYN_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// BLYPFunctional.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BLYPFunctional.C,v 1.4 2007-10-19 16:24:04 fgygi Exp $
// $Id: BLYPFunctional.C,v 1.5 2008-08-13 06:39:42 fgygi Exp $
#include <cmath>
#include <cassert>
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// BLYPFunctional.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BLYPFunctional.h,v 1.4 2007-10-19 16:24:04 fgygi Exp $
// $Id: BLYPFunctional.h,v 1.5 2008-08-13 06:39:42 fgygi Exp $
#ifndef BLYPFUNCTIONAL_H
#define BLYPFUNCTIONAL_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// BOSampleStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BOSampleStepper.C,v 1.42 2008-06-15 20:44:58 fgygi Exp $
// $Id: BOSampleStepper.C,v 1.43 2008-08-13 06:39:42 fgygi Exp $
#include "BOSampleStepper.h"
#include "EnergyFunctional.h"
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// BOSampleStepper.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BOSampleStepper.h,v 1.6 2007-10-19 16:24:04 fgygi Exp $
// $Id: BOSampleStepper.h,v 1.7 2008-08-13 06:39:42 fgygi Exp $
#ifndef BOSAMPLESTEPPER_H
#define BOSAMPLESTEPPER_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// Base64Transcoder.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Base64Transcoder.C,v 1.5 2008-01-13 23:05:16 fgygi Exp $
// $Id: Base64Transcoder.C,v 1.6 2008-08-13 06:39:42 fgygi Exp $
#include "Base64Transcoder.h"
#include <iostream>
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// Base64Transcoder.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Base64Transcoder.h,v 1.5 2007-10-19 16:24:04 fgygi Exp $
// $Id: Base64Transcoder.h,v 1.6 2008-08-13 06:39:42 fgygi Exp $
#ifndef BASE64TRANSCODER_H
#define BASE64TRANSCODER_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// Basis.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Basis.C,v 1.20 2008-06-15 20:46:05 fgygi Exp $
// $Id: Basis.C,v 1.21 2008-08-13 06:39:42 fgygi Exp $
#include "Basis.h"
#include "Context.h"
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// Basis.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Basis.h,v 1.9 2008-03-05 04:04:48 fgygi Exp $
// $Id: Basis.h,v 1.10 2008-08-13 06:39:42 fgygi Exp $
#ifndef BASIS_H
#define BASIS_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// BasisMapping.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BasisMapping.C,v 1.2 2007-10-19 16:24:04 fgygi Exp $
// $Id: BasisMapping.C,v 1.3 2008-08-13 06:39:42 fgygi Exp $
#include "Basis.h"
#include "Context.h"
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// BasisMapping.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BasisMapping.h,v 1.2 2007-10-19 16:24:04 fgygi Exp $
// $Id: BasisMapping.h,v 1.3 2008-08-13 06:39:42 fgygi Exp $
#ifndef BASISMAPPING_H
#define BASISMAPPING_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// CGIonicStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CGIonicStepper.C,v 1.2 2008-04-06 17:46:50 fgygi Exp $
// $Id: CGIonicStepper.C,v 1.3 2008-08-13 06:39:42 fgygi Exp $
#include "CGIonicStepper.h"
#include <cassert>
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// CGIonicStepper.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CGIonicStepper.h,v 1.2 2008-04-06 17:46:50 fgygi Exp $
// $Id: CGIonicStepper.h,v 1.3 2008-08-13 06:39:42 fgygi Exp $
#ifndef CGIONICSTEPPER_H
#define CGIONICSTEPPER_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// CPSampleStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CPSampleStepper.C,v 1.19 2008-04-15 01:36:15 fgygi Exp $
// $Id: CPSampleStepper.C,v 1.20 2008-08-13 06:39:42 fgygi Exp $
#include "CPSampleStepper.h"
#include "SlaterDet.h"
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// CPSampleStepper.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CPSampleStepper.h,v 1.5 2007-10-19 16:24:04 fgygi Exp $
// $Id: CPSampleStepper.h,v 1.6 2008-08-13 06:39:42 fgygi Exp $
#ifndef CPSAMPLESTEPPER_H
#define CPSAMPLESTEPPER_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// Cell.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Cell.h,v 1.7 2008-03-05 04:04:48 fgygi Exp $
// $Id: Cell.h,v 1.8 2008-08-13 06:39:42 fgygi Exp $
#ifndef CELL_H
#define CELL_H
......
////////////////////////////////////////////////////////////////////////////////
//
// Copyright (c) 2008 The Regents of the University of California
//
// This file is part of Qbox
//
// Qbox is distributed under the terms of the GNU General Public License
// as published by the Free Software Foundation, either version 2 of
// the License, or (at your option) any later version.
// See the file COPYING in the root directory of this distribution
// or <http://www.gnu.org/licenses/>.
//
////////////////////////////////////////////////////////////////////////////////
//
// CellDyn.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CellDyn.h,v 1.3 2007-10-19 16:24:04 fgygi Exp $
// $Id: CellDyn.h,v 1.