Directory dependency graph for examples:
Directories | |
| compiler | |
| periodic | |
| writecoeffs | |
Files | |
| 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. | |
| pcr.cc | |
| 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 | |
| writecoeff.cc | |
| writecoeff2.cc | |
