/usr/include/madness/mra/funcdefaults.h is in libmadness-dev 0.10-3.
This file is owned by root:root, with mode 0o644.
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This file is part of MADNESS.
Copyright (C) 2007,2010 Oak Ridge National Laboratory
This program is free software; you can redistribute it and/or modify
it 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.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
For more information please contact:
Robert J. Harrison
Oak Ridge National Laboratory
One Bethel Valley Road
P.O. Box 2008, MS-6367
email: harrisonrj@ornl.gov
tel: 865-241-3937
fax: 865-572-0680
*/
#ifndef MADNESS_MRA_FUNCDEFAULTS_H__INCLUDED
#define MADNESS_MRA_FUNCDEFAULTS_H__INCLUDED
/// \file funcdefaults.h
/// \brief Provides FunctionDefaults and utilities for coordinate transformation
/// \ingroup mrabcext
#include <madness/world/MADworld.h>
#include <madness/world/vector.h>
#include <madness/world/worlddc.h>
#include <madness/tensor/tensor.h>
#include <madness/mra/key.h>
namespace madness {
template <typename T, std::size_t NDIM> class FunctionImpl;
/// The maximum wavelet order presently supported
static const int MAXK = 30;
/// The maximum depth of refinement possible
static const int MAXLEVEL = 8*sizeof(Translation)-2;
enum BCType {BC_ZERO, BC_PERIODIC, BC_FREE, BC_DIRICHLET, BC_ZERONEUMANN, BC_NEUMANN};
/*!
\brief This class is used to specify boundary conditions for all operators
\ingroup mrabcext
Exterior boundary conditions (i.e., on the simulation domain)
are associated with operators (not functions). The types of
boundary conditions available are in the enum BCType.
The default boundary conditions are obtained from the FunctionDefaults.
For non-zero Dirichlet and Neumann conditions additional information
must be provided when derivative operators are constructed. For integral
operators, only periodic and free space are supported.
*/
template<std::size_t NDIM>
class BoundaryConditions {
private:
// Used to use STL vector but static data on a MAC was
// causing problems.
BCType bc[NDIM*2];
public:
/// Constructor. Default boundary condition set to free space
BoundaryConditions(BCType code=BC_FREE)
{
for (std::size_t i=0; i<NDIM*2; ++i) bc[i] = code;
}
/// Copy constructor is deep
BoundaryConditions(const BoundaryConditions<NDIM>& other)
{
*this = other;
}
/// Assignment makes deep copy
BoundaryConditions<NDIM>&
operator=(const BoundaryConditions<NDIM>& other) {
if (&other != this) {
for (std::size_t i=0; i<NDIM*2; ++i) bc[i] = other.bc[i];
}
return *this;
}
/// Returns value of boundary condition
/// @param d Dimension (0,...,NDIM-1) for boundary condition
/// @param i Side (0=left, 1=right) for boundary condition
/// @return Value of boundary condition
BCType operator()(std::size_t d, int i) const {
MADNESS_ASSERT(d<NDIM && i>=0 && i<2);
return bc[2*d+i];
}
/// Returns reference to boundary condition
/// @param d Dimension (0,...,NDIM-1) for boundary condition
/// @param i Side (0=left, 1=right) for boundary condition
/// @return Value of boundary condition
BCType& operator()(std::size_t d, int i) {
MADNESS_ASSERT(d<NDIM && i>=0 && i<2);
return bc[2*d+i];
}
template <typename Archive>
void serialize(const Archive& ar) {
ar & bc;
}
/// Translates code into human readable string
/// @param code Code for boundary condition
/// @return String describing boundary condition code
static const char* code_as_string(BCType code) {
static const char* codes[] = {"zero","periodic","free","Dirichlet","zero Neumann","Neumann"};
return codes[code];
}
/// Convenience for application of integral operators
/// @return Returns a vector indicating if each dimension is periodic
std::vector<bool> is_periodic() const {
std::vector<bool> v(NDIM);
for (std::size_t d=0; d<NDIM; ++d)
v[d] = (bc[2*d]==BC_PERIODIC);
return v;
}
};
template <std::size_t NDIM>
static
inline
std::ostream& operator << (std::ostream& s, const BoundaryConditions<NDIM>& bc) {
s << "BoundaryConditions(";
for (int d=0; d<NDIM; ++d) {
s << bc.code_as_string(bc(d,0)) << ":" << bc.code_as_string(bc(d,1));
if (d == NDIM-1)
s << ")";
else
s << ", ";
}
return s;
}
/// FunctionDefaults holds default paramaters as static class members
/// Declared and initialized in mra.cc and/or funcimpl::initialize.
///
/// Currently all functions of the same dimension share the same cell dimensions
/// since they are stored inside FunctionDefaults ... if you change the
/// cell dimensions *all* functions of that dimension are affected.
///
/// N.B. Ultimately, we may need to make these defaults specific to each
/// world, as should be all global state.
/// \ingroup mra
template <std::size_t NDIM>
class FunctionDefaults {
private:
static int k; ///< Wavelet order
static double thresh; ///< Truncation threshold
static int initial_level; ///< Initial level for fine scale projection
static int max_refine_level; ///< Level at which to stop refinement
static int truncate_mode; ///< Truncation method
static bool refine; ///< Whether to refine new functions
static bool autorefine; ///< Whether to autorefine in multiplication, etc.
static bool debug; ///< Controls output of debug info
static bool truncate_on_project; ///< If true initial projection inserts at n-1 not n
static bool apply_randomize; ///< If true use randomization for load balancing in apply integral operator
static bool project_randomize; ///< If true use randomization for load balancing in project/refine
static BoundaryConditions<NDIM> bc; ///< Default boundary conditions
static Tensor<double> cell ; ///< cell[NDIM][2] Simulation cell, cell(0,0)=xlo, cell(0,1)=xhi, ...
static Tensor<double> cell_width;///< Width of simulation cell in each dimension
static Tensor<double> rcell_width; ///< Reciprocal of width
static double cell_volume; ///< Volume of simulation cell
static double cell_min_width; ///< Size of smallest dimension
static TensorType tt; ///< structure of the tensor in FunctionNode
static std::shared_ptr< WorldDCPmapInterface< Key<NDIM> > > pmap; ///< Default mapping of keys to processes
static void recompute_cell_info() {
MADNESS_ASSERT(cell.dim(0)==NDIM && cell.dim(1)==2 && cell.ndim()==2);
cell_width = cell(_,1)-cell(_,0);
cell_volume = cell_width.product();
cell_min_width = cell_width.min();
rcell_width = copy(cell_width);
for (std::size_t i=0; i<NDIM; ++i) rcell_width(i) = 1.0/rcell_width(i);
}
public:
/// Used to set defaults to k=7, thresh=1-5, for a unit cube [0,1].
static void set_defaults(World& world);
/// Returns the default wavelet order
static int get_k() {
return k;
}
/// Sets the default wavelet order
/// Existing functions are unaffacted.
static void set_k(int value) {
k=value;
MADNESS_ASSERT(k>0 && k<=MAXK);
}
/// Returns the default threshold
static const double& get_thresh() {
return thresh;
}
/// Sets the default threshold
/// Existing functions are unaffected
static void set_thresh(double value) {
thresh=value;
}
/// Returns the default initial projection level
static int get_initial_level() {
return initial_level;
}
/// Sets the default initial projection level
/// Existing functions are unaffected
static void set_initial_level(int value) {
initial_level=value;
MADNESS_ASSERT(value>0 && value<MAXLEVEL);
}
/// Gets the default maximum adaptive refinement level
static int get_max_refine_level() {
return max_refine_level;
}
/// Sets the default maximum adaptive refinement level
/// Existing functions are unaffected
static void set_max_refine_level(int value) {
max_refine_level=value;
MADNESS_ASSERT(value>0 && value<MAXLEVEL);
}
/// Gets the default truncation mode
static int get_truncate_mode() {
return truncate_mode;
}
/// Sets the default truncation mode
/// Existing functions are unaffected
static void set_truncate_mode(int value) {
truncate_mode=value;
MADNESS_ASSERT(value>=0 && value<4);
}
/// Gets the default adaptive refinement flag
static bool get_refine() {
return refine;
}
/// Sets the default adaptive refinement flag
/// Existing functions are unaffected
static void set_refine(bool value) {
refine=value;
}
/// Gets the default adaptive autorefinement flag
static bool get_autorefine() {
return autorefine;
}
/// Sets the default adaptive autorefinement flag
/// Existing functions are unaffected
static void set_autorefine(bool value) {
autorefine=value;
}
/// Gets the default debug flag (is this used anymore?)
static bool get_debug() {
return debug;
}
/// Sets the default debug flag (is this used anymore?)
/// Not sure if this does anything useful
static void set_debug(bool value) {
debug=value;
}
/// Gets the default truncate on project flag
static bool get_truncate_on_project() {
return truncate_on_project;
}
/// Sets the default truncate on project flag
/// Existing functions are unaffected
static void set_truncate_on_project(bool value) {
truncate_on_project=value;
}
/// Gets the random load balancing for integral operators flag
static bool get_apply_randomize() {
return apply_randomize;
}
/// Sets the random load balancing for integral operators flag
static void set_apply_randomize(bool value) {
apply_randomize=value;
}
/// Gets the random load balancing for projection flag
static bool get_project_randomize() {
return project_randomize;
}
/// Sets the random load balancing for projection flag
static void set_project_randomize(bool value) {
project_randomize=value;
}
/// Returns the default boundary conditions
static const BoundaryConditions<NDIM>& get_bc() {
return bc;
}
/// Sets the default boundary conditions
static void set_bc(const BoundaryConditions<NDIM>& value) {
bc=value;
}
/// Returns the default tensor type
static TensorType get_tensor_type() {
return tt;
}
/// Sets the default tensor type
static void set_tensor_type(const TensorType& t) {
#if HAVE_GENTENSOR
tt=t;
#else
tt=TT_FULL;
#endif
}
/// Gets the user cell for the simulation
static const Tensor<double>& get_cell() {
return cell;
}
/// Gets the user cell for the simulation
/// Existing functions are probably rendered useless
static void set_cell(const Tensor<double>& value) {
cell=copy(value);
recompute_cell_info();
}
/// Sets the user cell to be cubic with each dimension having range \c [lo,hi]
/// Existing functions are probably rendered useless
static void set_cubic_cell(double lo, double hi) {
cell(_,0)=lo;
cell(_,1)=hi;
recompute_cell_info();
}
/// Returns the width of each user cell dimension
static const Tensor<double>& get_cell_width() {
return cell_width;
}
/// Returns the reciprocal of the width of each user cell dimension
static const Tensor<double>& get_rcell_width() {
return rcell_width;
}
/// Returns the minimum width of any user cell dimension
static double get_cell_min_width() {
return cell_min_width;
}
/// Returns the volume of the user cell
static double get_cell_volume() {
return cell_volume;
}
/// Returns the default process map
static std::shared_ptr< WorldDCPmapInterface< Key<NDIM> > >& get_pmap() {
return pmap;
}
/// Sets the default process map (does \em not redistribute existing functions)
/// Existing functions are probably rendered useless
static void set_pmap(const std::shared_ptr< WorldDCPmapInterface< Key<NDIM> > >& value) {
pmap = value;
}
/// Sets the default process map and redistributes all functions using the old map
static void redistribute(World& world, const std::shared_ptr< WorldDCPmapInterface< Key<NDIM> > >& newpmap) {
pmap->redistribute(world,newpmap);
pmap = newpmap;
}
};
/// Convert user coords (cell[][]) to simulation coords ([0,1]^ndim)
template <std::size_t NDIM>
static inline void user_to_sim(const Vector<double,NDIM>& xuser, Vector<double,NDIM>& xsim) {
for (std::size_t i=0; i<NDIM; ++i)
xsim[i] = (xuser[i] - FunctionDefaults<NDIM>::get_cell()(i,0)) * FunctionDefaults<NDIM>::get_rcell_width()[i];
}
/// Convert simulation coords ([0,1]^ndim) to user coords (FunctionDefaults<NDIM>::get_cell())
template <std::size_t NDIM>
static void sim_to_user(const Vector<double,NDIM>& xsim, Vector<double,NDIM>& xuser) {
for (std::size_t i=0; i<NDIM; ++i)
xuser[i] = xsim[i]*FunctionDefaults<NDIM>::get_cell_width()[i] + FunctionDefaults<NDIM>::get_cell()(i,0);
}
}
#endif // MADNESS_MRA_FUNCDEFAULTS_H__INCLUDED
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