ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Abstraction of a method from the ScaFaCoS library. More...
#include <Scafacos.hpp>
Public Member Functions | |
Scafacos (MPI_Comm comm, std::string method, std::string parameters) | |
~Scafacos () | |
std::string | get_parameters () const |
Get the parameters from the library. | |
std::string | get_method () const |
Get active method name. | |
void | set_runtime_parameters (double const *box_l, int const *periodicity, int total_particles, int near_field_flag) |
Set box geometry, number of particles and calculation type. | |
Static Public Member Functions | |
static std::vector< std::string > | available_methods () |
Get a list of methods supported by the library. | |
Protected Attributes | |
FCS | m_handle |
Handle from the library. | |
Abstraction of a method from the ScaFaCoS library.
Definition at line 34 of file Scafacos.hpp.
Scafacos::Scafacos::Scafacos | ( | MPI_Comm | comm, |
std::string | method, | ||
std::string | parameters | ||
) |
Definition at line 73 of file Scafacos.cpp.
References handle_error.
Scafacos::Scafacos::~Scafacos | ( | ) |
Definition at line 83 of file Scafacos.cpp.
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static |
Get a list of methods supported by the library.
Definition at line 30 of file Scafacos.cpp.
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inline |
Get active method name.
Definition at line 40 of file Scafacos.hpp.
Referenced by Scafacos::Coulomb::set_near_field_delegation().
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inline |
Get the parameters from the library.
Definition at line 38 of file Scafacos.hpp.
void Scafacos::Scafacos::set_runtime_parameters | ( | double const * | box_l, |
int const * | periodicity, | ||
int | total_particles, | ||
int | near_field_flag | ||
) |
Set box geometry, number of particles and calculation type.
Definition at line 85 of file Scafacos.cpp.
References handle_error.
Referenced by Scafacos::Coulomb::set_runtime_parameters().
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protected |
Handle from the library.
Definition at line 51 of file Scafacos.hpp.
Referenced by Scafacos::Coulomb::Coulomb(), Scafacos::Coulomb::pair_energy(), Scafacos::Coulomb::pair_force(), Scafacos::Coulomb::r_cut(), Scafacos::Coulomb::run(), Scafacos::Coulomb::set_near_field_delegation(), Scafacos::Coulomb::set_r_cut(), and Scafacos::Coulomb::tune().