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MADNESS 0.10.1
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Directories | |
| minmax | |
Files | |
| adquad.h | |
| bc.h | |
| Provides BoundaryConditions. | |
| commandlineparser.h | |
| convolution1d.h | |
| Computes 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. | |
| kernelrange.h | |
| 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. | |
| memory_measurement.h | |
| 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. | |
| mw.h | |
| 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_memory_measurement.cc | |
| test_mra6.cc | |
| test_QCCalculationParametersBase.cc | |
| test_sepop.cc | |
| test_tree_state.cc | |
| test_vectormacrotask.cc | |
Tests the MacroTaskQ and MacroTask classes. | |
| 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 | |
| testsolver.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 | |