| ▼ apps | |
| ► cc2 | |
| cc2.cc | |
| ► cis | |
| cis.cpp | |
| ► dirac | |
| DF.cc | |
| DF.h | |
| DFdriver.cc | |
| DFParameters.h | |
| DKops.h | |
| fcwf.cc | |
| fcwf.h | |
| InitParameters.h | |
| relops.cc | |
| rk.cc | |
| ► interior_bc | |
| embedded_dirichlet.cc | Provides test problems for examining the convergence of embedded (Dirichlet) boundary conditions |
| test_problems.h | Provides test problems for examining the convergence of embedded (Dirichlet) boundary conditions |
| ► moldft | |
| ► fci | |
| crayio.c | |
| ieor.c | |
| linux_cputime.c | |
| mcpfit.cc | Fitting parameters of Model Core Potential |
| moldft.cc | Molecular HF and DFT code |
| pointgroup.h | Implements basic functionality for Abelian point groups (D2h and subgroups) |
| preal.cc | |
| subspace.h | |
| testcosine.cc | |
| testmolbas.cc | |
| testperiodicdft.cc | |
| testpg.cc | |
| wst_functional.h | |
| ► molresponse | |
| ► testing | |
| excited_state_calc.cpp | |
| frequency_calc.cpp | |
| full_excited_test.cpp | |
| full_frequency_test.cpp | |
| full_ground_test.cpp | |
| generate_excited_data.cpp | |
| generate_frequency_answers.cpp | |
| generate_frequency_data.cpp | |
| mad-excited-symmetry-adapted.cpp | |
| mad-excited.cpp | |
| mad-freq.cpp | |
| madness_catch_main.cc | |
| madness_catch_main_init.cc | |
| qcschema_json_testing.cpp | |
| response_data_base.cpp | |
| test_development.cpp | |
| write_test_input.h | |
| x_space_testing.cpp | |
| basic_operators.cc | |
| basic_operators.h | |
| calc_runner.cc | |
| ExcitedResponse.cpp | |
| FrequencyResponse.cpp | |
| global_functions.cc | |
| global_functions.h | |
| ground_parameters.h | |
| molresponse.cc | Molecular Response DFT code |
| Plot_VTK.cc | |
| Plot_VTK.h | |
| property.cc | |
| property.h | |
| response_functions.h | |
| response_parameters.cpp | |
| response_parameters.h | |
| ResponseBase.cpp | |
| timer.cc | |
| timer.h | |
| x_space.cc | |
| x_space.h | |
| ► mp2 | |
| mp2.cc | Solves molecular MP2 equations |
| ► nemo | |
| nemo.cc | |
| ► oep | |
| oep.cc | |
| ► periodic_old | |
| complexfun.h | |
| dft.cc | |
| dft.h | |
| eigsolver.cc | |
| eigsolver.h | |
| electronicstructureapp.h | |
| electronicstructureparams.h | |
| esolver.h | |
| ewald.cc | |
| hartreefock.cc | |
| hartreefock.h | |
| lda.h | |
| libxc.h | |
| mentity.cc | Simple management of molecular information and potential |
| mentity.h | |
| molecularbasis.h | |
| outputwriter.h | |
| poperator.h | |
| solver.h | |
| solver_driver.cc | |
| test_be.cc | |
| test_comm.cc | |
| test_coulomb.cc | |
| test_he.cc | |
| test_hf.cc | |
| test_hydro.cc | |
| test_lattice.cc | |
| test_xc.cc | |
| testconv.cc | |
| util.cc | |
| util.h | |
| ► plot | |
| plot2cube.cpp | |
| plot2plane.cpp | |
| ► pno | |
| pno.cpp | |
| ► tdse | |
| tdse.cc | Evolves the hydrogen atom in imaginary and also real time |
| tdse.confused.cc | Evolves the hydrogen atom in imaginary and also real time |
| tdse4.cc | Evolves the hydrogen molecular ion in 4D ... 3 electron + 1 nuclear degree of freedom |
| ► zcis | |
| zcis.cc | |
| ► znemo | |
| znemo.cc | |
| ▼ doc | |
| contribution | |
| getting_started | |
| ► libraries | |
| ► parallel_runtime | |
| threading | |
| ► tutorial | |
| simple_hf.cpp | |
| test_runtime.cpp | |
| ▼ examples | |
| ► compiler | |
| mra-driver.cc | |
| mra.cc | |
| ► periodic | |
| erfcr.cc | |
| test.cc | Tests serialization by some of the archives |
| testfilter.cc | |
| testfuns.cc | |
| testpc.h | |
| testpercoul.cc | |
| 3dharmonic.cc | Solves for the ground state of the quantum 3d harmonic oscillator |
| ac_corr.cc | |
| array_worldobject.cc | |
| binaryop.cc | Illustrates general composition of two functions |
| colloid.cc | |
| csqrt.cc | |
| dataloadbal.cc | Illustrates how to use static data/load balancing of functions |
| density_smoothing.cc | Solve the HF equations using numerical exponential MOs |
| derivatives.cc | |
| dielectric.cc | Example solution of Poisson's equation in a dielectric (polarizable) medium |
| dielectric_external_field.cc | Example solution of Laplace's equations for dielectric sphere in an external field |
| dirac-hatom.cc | Solve the hydrogen atom using the 4-component Dirac equation |
| functionio.cc | Example of I/O with functions |
| gaussian.cc | A simple example of projecting and using MADNESS functions |
| gygi_soltion.cc | |
| h2.cc | Solves the Hartree-Fock equations for the hydrogen molecule |
| h2dft.cc | |
| h2dynamic.cc | |
| hatom.cc | |
| hatom_1d.cc | Solves the Schrodinger equation for the 1-d hydrogen atom |
| hatom_energy.cc | Compute the energy of the hydrogen atom ground state |
| hatom_sf_dirac.cc | |
| he.cc | |
| heat.cc | Example Green function for the 3D heat equation |
| heat2.cc | Example Green function for the 3D heat equation with a linear term |
| hedft.cc | |
| hefxc.cc | |
| hehf.cc | Solves the Hartree-Fock equations for the helium atom |
| helium_exact.cc | Solves the two-particle system exactly |
| helium_mp2.cc | Solves the Hartree-Fock and MP2 equations for the helium atom |
| hello.cc | Simplest example program for MADNESS |
| madinfo.cc | |
| molecularmask.h | |
| molecularsurface.cc | |
| navstokes_cosines.cc | Example Solving the Navier-Stokes equations |
| newsolver.cc | |
| newsolver_lda.cc | |
| nonlinschro.cc | Solves 1D nonlinear Schrödinger equation |
| ploterr.cc | |
| sdf_shape_tester.cc | Demonstrates/tests use of 3D shape functions |
| siam_example.cc | A simple example of solving PDEs with MADNESS |
| sininteg.cc | Compute the integral sin(x) x=0..10 |
| smooth.h | |
| spectralprop.h | Spectral propagator in time using semigroup approach |
| svpe.cc | |
| tdse1d.cc | Example propagation of TDSE (translating atom) using various propagators |
| tdse_example.cc | Evolves the hydrogen atom in imaginary and also real time |
| test_derivative.cc | |
| test_gmres.cc | |
| testcomplexfunctionsolver.cc | |
| testspectralprop.cc | |
| testttg.cc | |
| tiny.cc | Solves the Hartree-Fock and MP2 equations for the helium atom |
| vnucso.cc | Solves the Hartree-Fock equation for the 2-cosh potential with spin-orbit in Nuclear Density Functional Theory without assumption of spatial symmetry |
| vtk.cc | |
| ▼ madness | |
| ► chem | |
| AC.cc | |
| AC.h | |
| atomutil.cc | Implementation of utility functions for atom |
| atomutil.h | Declaration of utility class and functions for atom |
| basis.h | |
| benchmark_exchange_operator.cc | |
| BSHApply.h | |
| CalculationParameters.h | |
| CC2.cc | |
| CC2.h | |
| ccpairfunction.cc | |
| ccpairfunction.h | |
| CCPotentials.cc | |
| CCPotentials.h | |
| CCStructures.cc | |
| CCStructures.h | |
| corepotential.cc | Simple management of core potential and orbital information |
| corepotential.h | Declaration of core potential related class |
| correlationfactor.cc | |
| correlationfactor.h | |
| diamagneticpotentialfactor.cc | |
| diamagneticpotentialfactor.h | |
| distpm.cc | |
| distpm.h | |
| electronic_correlation_factor.h | |
| ESInterface.h | |
| exchangeoperator.cc | |
| exchangeoperator.h | |
| gaussian.cc | |
| gaussian.h | |
| gth_pseudopotential.cc | GTH pseudopotential functionality |
| gth_pseudopotential.h | |
| GuessFactory.cc | |
| GuessFactory.h | |
| IntegratorXX.h | |
| lda.cc | |
| localizer.cc | |
| localizer.h | |
| lowrankfunction.h | |
| masks_and_boxes.h | |
| molecular_functors.h | |
| molecular_optimizer.h | Optimize the geometrical structure of a molecule |
| molecularbasis.cc | |
| molecularbasis.h | |
| MolecularOrbitals.cc | |
| MolecularOrbitals.h | |
| molecule.cc | |
| molecule.h | |
| molopt.h | |
| mp2.cc | |
| mp2.h | Solves molecular MP2 equations |
| mp3.cc | |
| mp3.h | |
| nemo.cc | |
| nemo.h | |
| NWChem.cc | |
| NWChem.h | |
| oep.cc | |
| oep.h | |
| pcm.cc | |
| pcm.h | |
| plotxc.cc | |
| PNO.cpp | |
| PNO.h | |
| PNOF12Potentials.cpp | |
| PNOF12Potentials.h | |
| PNOGuessFunctions.cpp | |
| PNOGuessFunctions.h | |
| PNOParameters.cpp | |
| PNOParameters.h | |
| PNOStructures.cpp | |
| PNOStructures.h | |
| PNOTensors.h | |
| pointgroupoperator.h | Implements point group operations |
| pointgroupsymmetry.cc | Implements point group operations |
| pointgroupsymmetry.h | |
| polynomial.cc | |
| polynomial.h | |
| potentialmanager.cc | |
| potentialmanager.h | |
| projector.h | |
| QCPropertyInterface.h | |
| SAP.cc | |
| SAP.h | |
| SCF.cc | Molecular HF and DFT code |
| SCF.h | |
| SCFOperators.cc | Operators for the molecular HF and DFT code |
| SCFOperators.h | Operators for the molecular HF and DFT code |
| SCFProtocol.h | Solution protocol for SCF calculations |
| TDHF.cc | |
| TDHF.h | |
| test_BSHApply.cc | |
| test_ccpairfunction.cc | |
| test_dft.cc | |
| test_exchangeoperator.cc | |
| test_IntegratorXX.cc | |
| test_localizer.cc | |
| test_low_rank_function.cc | |
| test_masks_and_boxes.cc | |
| test_MolecularOrbitals.cc | |
| test_pointgroupsymmetry.cc | |
| test_projector.cc | |
| test_qc.cc | |
| test_SCFOperators.cc | |
| testlda.cc | |
| testxc.cc | |
| vibanal.cc | |
| vibanal.h | |
| write_test_input.h | |
| xcfunctional.h | |
| xcfunctional_ldaonly.cc | |
| xcfunctional_libxc.cc | |
| zcis.cc | |
| zcis.h | |
| znemo.cc | |
| znemo.h | |
| ► misc | |
| array_of_bools.h | |
| cfft.cc | |
| cfft.h | |
| checksum_file.cc | Miscellaneous useful stuffx |
| gnuplot.h | |
| gprofexit.cc | |
| info.cc | |
| info.h | Defines functions that give information on this version of MADNESS |
| interp3.cc | |
| interpolation_1d.h | Provides 1D cubic interpolation class |
| kahan_accumulator.h | |
| misc.h | Header to declare stuff which has not yet found a home |
| phandler.h | Interface for the muParser library for turning user-defined functions into bytecode |
| position_stream.cc | |
| ran.cc | |
| ran.h | |
| test_gnuplot.cc | |
| unique_filename.cc | |
| ► mra | |
| ► minmax | |
| y.cc | |
| y1.cc | |
| y_signed.cc | |
| y_varx.cc | |
| 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 | |
| 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 | |
| ► tensor | |
| ► mtxmq_bg | |
| bgp_cc.cc | |
| bgp_cr.cc | |
| bgp_rc.cc | |
| bgp_rr.cc | |
| bgq_mtxm.cc | |
| ► mtxmq_graveyard | |
| ► bgp_tuning | |
| mTxm_tune.cc | |
| mtxmq.cc | |
| test_mtxmq.cc | |
| test_Zmtxmq.cc | |
| ► new_mtxmq | |
| ► bests | |
| avx2_cc.cc | |
| avx2_cr.cc | |
| avx2_rc.cc | |
| avx2_rr.cc | |
| avx_cc.cc | |
| avx_cr.cc | |
| avx_rc.cc | |
| avx_rr.cc | |
| sse_cc.cc | |
| sse_cr.cc | |
| sse_rc.cc | |
| sse_rr.cc | |
| mtxm_gen.h | |
| mtxmq.cc | |
| mtxmq.h | |
| mtxmq_avx_rjh.cc | |
| test_scott.cc | |
| aligned.h | Provides routines for internal use optimized for aligned data |
| basetensor.cc | Implements BaseTensor |
| basetensor.h | Declares BaseTensor |
| cblas.h | Define BLAS like functions |
| cblas_types.h | Define types used by CBLAS API |
| clapack.h | C++ interface to LAPACK, either directly via Fortran API (see clapack_fortran.h) or via LAPACKE (see clapack_lapacke.h) |
| clapack_fortran.h | Legacy C++ prototypes for Fortran LAPACK with associated typedefs and macos |
| distributed_matrix.h | |
| dummy_main.c | |
| elem.cc | |
| elem.h | |
| fred.cc | |
| gentensor.h | |
| gfit.cc | |
| gmres.h | Defines a general operator interface and a templated GMRES solver for solving linear equations |
| jacobi.h | |
| jimkernel.cc | |
| kain.cc | |
| lapack.cc | Partial interface from Tensor to LAPACK |
| lapacke_types.h | Define types used by LAPACKe |
| linalg_wrappers.cc | |
| linalg_wrappers.h | Template wrappers for LAPACK routines |
| lowranktensor.h | |
| miketest.cc | |
| mxm.h | Internal use only |
| oldtest.cc | Test code for Tensor, TensorIterator, SliceTensor, etc |
| RandomizedMatrixDecomposition.cc | |
| RandomizedMatrixDecomposition.h | |
| slice.h | Declares and implements Slice |
| solvers.cc | |
| solvers.h | Defines interfaces for optimization and non-linear equation solvers |
| srconf.h | |
| SVDTensor.cc | |
| SVDTensor.h | |
| systolic.h | |
| tensor.cc | Completes the implementation of Tensor and instantiates all specializations for fast compiles |
| tensor.h | Defines and implements most of Tensor |
| tensor_lapack.h | Prototypes for a partial interface from Tensor to LAPACK |
| tensor_macros.h | Macros for easy and efficient iteration over tensors |
| tensor_spec.h | |
| tensorexcept.h | Declares and implements TensorException |
| tensoriter.cc | Implements TensorIterator |
| tensoriter.h | Declares TensorIterator |
| tensoriter_spec.h | |
| tensortrain.h | Defines and implements the tensor train decomposition as described in I.V. Oseledets, Siam J. Sci. Comput. 33, 2295 (2011) |
| test_distributed_matrix.cc | |
| test_elemental.cc | |
| test_gentensor.cc | |
| test_jacobi.cc | |
| test_linalg.cc | |
| test_lowranktensor.cc | |
| test_mtxmq.cc | |
| test_RandomizedMatrixDecomposition.cc | |
| test_solvers.cc | |
| test_systolic.cc | |
| test_tensor.cc | |
| test_Zmtxmq.cc | |
| testseprep.cc | |
| transform3d.cc | |
| type_data.h | Defines and implements TensorTypeData, a type traits class |
| vector_factory.h | Declares and implements factories for short vectors |
| vmath.cc | |
| vmath.h | |
| ► world | |
| archive.cc | Definitions of serialization functions |
| archive.h | Interface templates for the archives (serialization) |
| archive_type_names.cc | Defines archive type names for supported (by default) types |
| array_addons.h | Supplements to the std::array class, such as I/O operations, for convenience |
| atomicint.h | Implements AtomicInt |
| bgq_atomics.h | |
| binary_fstream_archive.cc | Implements an archive wrapping a binary filestream |
| binary_fstream_archive.h | Implements an archive wrapping a binary filestream |
| binsorter.h | |
| buffer_archive.h | Implements an archive wrapping a memory buffer |
| cereal_archive.h | |
| cloud.h | Declares the Cloud class for storing data and transfering them between worlds |
| debug.cc | |
| deferred_cleanup.cc | |
| deferred_cleanup.h | |
| dependency_interface.h | Defines DependencyInterface and CallbackInterface |
| dist_cache.h | |
| distributed_id.h | |
| dqueue.h | Implements DQueue |
| function_traits.h | |
| future.cc | Implementations for Future and related functions |
| future.h | Implements Future and related items |
| group.cc | |
| group.h | |
| lookup3.c | |
| madness_exception.cc | Implementation of madness::MadnessException |
| madness_exception.h | Defines madness::MadnessException for exception handling |
| MADworld.h | This header should include pretty much everything needed for the parallel runtime |
| mem_func_wrapper.h | Defines tools for encapsulating a pointer to a member function |
| meta.h | |
| mpi_archive.h | Implements archives to serialize data for MPI |
| nodefaults.h | Implements NO_DEFAULTS |
| parallel_archive.h | Implements ParallelInputArchive and ParallelOutputArchive for parallel serialization of data |
| parallel_dc_archive.h | |
| parsec.cc | |
| parsec.h | |
| posixmem.h | Implement dummy posix_memalign if it is missing on the system |
| print.cc | Implementation of functions defined in print.h |
| print.h | Defines simple templates for printing to std::cout "a la Python" |
| print_seq.h | Implements print_seq |
| range.h | Implement the Range class for parallel iteration |
| redirectio.cc | |
| safempi.cc | |
| safempi.h | Serializes calls to MPI in case it does not support THREAD_MULTIPLE |
| stack.h | Implement Stack for a fixed-size stack container |
| stubmpi.h | |
| taskfn.h | |
| test_ar.cc | |
| test_atomicint.cc | |
| test_binsorter.cc | |
| test_dc.cc | |
| test_future.cc | |
| test_future2.cc | |
| test_future3.cc | |
| test_googletest.cc | |
| test_hashdc.cc | |
| test_hashthreaded.cc | |
| test_hello.cc | |
| test_list.cc | |
| test_mpihang.cc | |
| test_papi.cc | |
| test_prof.cc | |
| test_queue.cc | |
| test_sig.cc | |
| test_stack.cc | |
| test_sysctl.c | |
| test_tree.cc | |
| test_utilities.h | |
| test_vec.cc | |
| test_vector.cc | |
| test_world.cc | |
| test_worldprofile.cc | |
| test_worldptr.cc | |
| test_worldref.cc | |
| text_fstream_archive.cc | Implements an archive wrapping text filestream |
| text_fstream_archive.h | Implements an archive wrapping text filestream |
| thread.cc | Implements Dqueue, Thread, ThreadBase and ThreadPool |
| thread.h | Implements Dqueue, Thread, ThreadBase and ThreadPool |
| thread_info.h | Implements thread introspection for Pthreads backend |
| timers.cc | Implementation of functions for timers, etc |
| timers.h | Wrappers around platform dependent timers and performance info |
| timing_utilities.h | |
| type_traits.h | |
| uniqueid.h | |
| units.cc | |
| units.h | |
| vector.h | Implement the madness:Vector class, an extension of std::array that supports some mathematical operations |
| vector_archive.h | Implements an archive wrapping an STL vector |
| world.cc | Implementation of the World class and associated functions |
| world.h | Declares the World class for the parallel runtime environment |
| world_object.h | Defines and implements WorldObject |
| world_task_queue.cc | Implementation of TaskInterface and WorldTaskQueue functions |
| world_task_queue.h | Defines TaskInterface and implements WorldTaskQueue and associated stuff |
| worldam.cc | |
| worldam.h | Implements active message layer for World on top of RMI layer |
| worlddc.h | Implements WorldContainer |
| worldgop.cc | |
| worldgop.h | Implements global operations |
| worldhash.h | Defines hash functions for use in distributed containers |
| worldhashmap.h | Defines and implements a concurrent hashmap |
| worldinit.h | Declares the functions that initialize the parallel runtime |
| worldmem.cc | |
| worldmem.h | |
| worldmpi.cc | Several variables needed for WorldMPI |
| worldmpi.h | Implements WorldMpiInterface |
| worldmutex.cc | |
| worldmutex.h | Implements Mutex, MutexFair, Spinlock, ConditionVariable |
| worldpapi.cc | |
| worldpapi.h | |
| worldprofile.cc | |
| worldprofile.h | |
| worldptr.h | The madness::detail::WorldPtr class for global pointers |
| worldref.cc | |
| worldref.h | Implements RemoteReference which is for internal use |
| worldrmi.cc | |
| worldrmi.h | Lowest level API for sending active messages — you should probably be looking at worldam.h instead |
| worldtypes.h | Defines types used by the parallel runtime |
| constants.h | Defines common mathematical and physical constants |
| fortran_ctypes.h | Correspondence between C++ and Fortran types |
| madness.cc | |
| madness_config.h | Macros and tools pertaining to the configuration of MADNESS |
| madchem.h | |
| madness.h | General header file for using MADNESS |
