MADNESS 0.10.1
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Directories | |
compiler | |
periodic | |
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. | |
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 | |
testsolver.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 | |