MADNESS
0.10.1
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Directories | |
directory | compiler |
directory | periodic |
Files | |
file | 3dharmonic.cc |
Solves for the ground state of the quantum 3d harmonic oscillator. | |
file | ac_corr.cc |
file | array_worldobject.cc |
file | binaryop.cc |
Illustrates general composition of two functions. | |
file | colloid.cc |
file | csqrt.cc |
file | dataloadbal.cc |
Illustrates how to use static data/load balancing of functions. | |
file | density_smoothing.cc |
solve the HF equations using numerical exponential MOs | |
file | derivatives.cc |
file | dielectric.cc |
Example solution of Poisson's equation in a dielectric (polarizable) medium. | |
file | dielectric_external_field.cc |
Example solution of Laplace's equations for dielectric sphere in an external field. | |
file | dirac-hatom.cc |
solve the hydrogen atom using the 4-component Dirac equation | |
file | functionio.cc |
Example of I/O with functions. | |
file | examples/gaussian.cc |
A simple example of projecting and using MADNESS functions. | |
file | gygi_soltion.cc |
file | h2.cc |
Solves the Hartree-Fock equations for the hydrogen molecule. | |
file | h2dft.cc |
file | h2dynamic.cc |
file | hatom.cc |
file | hatom_1d.cc |
Solves the Schrodinger equation for the 1-d hydrogen atom. | |
file | hatom_energy.cc |
Compute the energy of the hydrogen atom ground state. | |
file | hatom_sf_dirac.cc |
file | he.cc |
file | heat.cc |
Example Green function for the 3D heat equation. | |
file | heat2.cc |
Example Green function for the 3D heat equation with a linear term. | |
file | hedft.cc |
file | hefxc.cc |
file | hehf.cc |
Solves the Hartree-Fock equations for the helium atom. | |
file | helium_exact.cc |
Solves the two-particle system exactly. | |
file | helium_mp2.cc |
Solves the Hartree-Fock and MP2 equations for the helium atom. | |
file | hello.cc |
Simplest example program for MADNESS. | |
file | madinfo.cc |
file | molecularmask.h [code] |
file | molecularsurface.cc |
file | navstokes_cosines.cc |
Example Solving the Navier-Stokes equations. | |
file | newsolver.cc |
file | newsolver_lda.cc |
file | nonlinschro.cc |
Solves 1D nonlinear Schrödinger equation. | |
file | ploterr.cc |
file | sdf_shape_tester.cc |
Demonstrates/tests use of 3D shape functions. | |
file | siam_example.cc |
A simple example of solving PDEs with MADNESS. | |
file | sininteg.cc |
Compute the integral sin(x) x=0..10. | |
file | smooth.h [code] |
file | spectralprop.h [code] |
Spectral propagator in time using semigroup approach. | |
file | svpe.cc |
file | tdse1d.cc |
Example propagation of TDSE (translating atom) using various propagators. | |
file | tdse_example.cc |
Evolves the hydrogen atom in imaginary and also real time. | |
file | test_derivative.cc |
file | test_gmres.cc |
file | testcomplexfunctionsolver.cc |
file | testsolver.cc |
file | testspectralprop.cc |
file | testttg.cc |
file | tiny.cc |
Solves the Hartree-Fock and MP2 equations for the helium atom. | |
file | 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. | |
file | vtk.cc |