MADNESS 0.10.1
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Directories | |
minmax | |
Files | |
adquad.h | |
commandlineparser.h | |
convolution1d.h | |
Compuates most matrix elements over 1D operators (including Gaussians) | |
derivative.h | |
Declaration and initialization of tree traversal functions and generic derivative. | |
displacements.h | |
funcdefaults.h | |
Provides FunctionDefaults and utilities for coordinate transformation. | |
funcimpl.h | |
Provides FunctionCommonData, FunctionImpl and FunctionFactory. | |
funcplot.h | |
Defines/implements plotting interface for functions. | |
function_common_data.h | |
function_factory.h | |
function_interface.h | |
functypedefs.h | |
Provides typedefs to hide use of templates and to increase interoperability. | |
gfit.h | |
fit isotropic functions to a set of Gaussians with controlled precision | |
indexit.h | |
Provides IndexIterator. | |
key.h | |
Multidimension Key for MRA tree and associated iterators. | |
lbdeux.h | |
Implements (2nd generation) static load/data balancing for functions. | |
leafop.h | |
legendre.cc | |
Legendre quadrature, polynomials and scaling functions. | |
legendre.h | |
macrotaskpartitioner.h | |
macrotaskq.h | |
Declares the macrotaskq and MacroTaskBase classes. | |
mra.h | |
Main include file for MADNESS and defines Function interface. | |
mra1.cc | |
mra2.cc | |
mra3.cc | |
mra4.cc | |
mra5.cc | |
mra6.cc | |
mraimpl.h | |
Declaration and initialization of static data, some implementation, some instantiation. | |
mraplot.cc | |
Function plotting utility. | |
mypmap.h | |
nonlinsol.h | |
Implementation of Krylov-subspace nonlinear equation solver. | |
operator.h | |
Implements most functionality of separated operators. | |
operatorinfo.h | |
power.h | |
QCCalculationParametersBase.cc | |
QCCalculationParametersBase.h | |
qmprop.cc | |
Implements BandlimitedPropagator and qm_free_particle_propagator. | |
qmprop.h | |
Prototypes for qm propagator. | |
sdf_domainmask.h | |
Defines abstract interfaces and concrete classes signed distance functions and domain masks. | |
sdf_shape_2D.h | |
Implements the SignedDFInterface for common 2-D geometric objects. | |
sdf_shape_3D.h | |
Implements the SignedDFInterface for common 3-D geometric objects. | |
simplecache.h | |
startup.cc | |
test6.cc | |
test various functionality for 6d functions | |
test_cloud.cc | |
test_macrotaskpartitioner.cc | |
test_mra6.cc | |
test_QCCalculationParametersBase.cc | |
test_sepop.cc | |
test_tree_state.cc | |
test_vectormacrotask.cc | |
testbc.cc | |
testbsh.cc | |
test the bsh operator | |
testdiff1D.cc | |
testing for diff() in 1D | |
testdiff1Db.cc | |
testing for diff() in 1D | |
testdiff2D.cc | |
testing for diff() in 2D | |
testdiff3D.cc | |
testing for diff() in 3D | |
testgaxpyext.cc | |
testgconv.cc | |
Test convolution with Gaussian * polyn. | |
testinnerext.cc | |
testopdir.cc | |
test different operators in different directions | |
testpdiff.cc | |
testper.cc | |
test the periodic convolution operator | |
testperiodic.cc | |
test periodic convolutiosn | |
testproj.cc | |
test box size dependence of projection etc. | |
testqm.cc | |
testsuite.cc | |
The QA/test suite for Function. | |
testunaryop.cc | |
test a unary op | |
testvmra.cc | |
twoscale.cc | |
Routines to provide twoscale & correlation coeffs for Legendre basis. | |
twoscale.h | |
vmra.h | |
Defines operations on vectors of Functions. | |
vmra1.h | |