MADNESS 0.10.1
|
A simple example of projecting and using MADNESS functions. More...
Functions | |
double | gaussian (const coord_3d &r) |
C++ function for projecting the Gaussian test function. | |
int | main (int argc, char **argv) |
Main function. Project the function and compute the integrals. | |
A simple example of projecting and using MADNESS functions.
This example projects a simple Gaussian function,
into the MADNESS adaptive basis and computes several integrals:
C++ function for projecting the Gaussian test function.
[in] | r | The coordinate at which to evaluate the function. |
References madness::nonlinear_vector_solver().
int main | ( | int | argc, |
char ** | argv | ||
) |
Main function. Project the function and compute the integrals.
[in] | argc | The number of command-line arguments. |
[in] | argv | The command-line arguments. |
References SafeMPI::COMM_WORLD, madness::CoulombOperator(), e(), madness::finalize(), madness::g, madness::initialize(), madness::inner(), madness::nonlinear_vector_solver(), op(), madness::print(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::startup(), and madness::Function< T, NDIM >::truncate().