occ_elastic_fit.h File Reference

#include "occ/core/units.h"
#include <CLI/App.hpp>
#include <cmath>
#include <occ/core/linear_algebra.h>
#include <stdexcept>
#include <string>
#include <vector>

Include dependency graph for occ_elastic_fit.h:

Classes
struct	occ::main::Morse
struct	occ::main::LJ
struct	occ::main::LJ_A
class	occ::main::PotentialBase
class	occ::main::MorseWrapper
class	occ::main::LJWrapper
class	occ::main::LJ_AWrapper
class	occ::main::PES
struct	occ::main::EFSettings

Namespaces
namespace	occ
namespace	occ::main
	main module for functionaliity related to single point energies etc.

Enumerations
enum class	occ::main::PotentialType { occ::main::MORSE , occ::main::LJ , occ::main::LJ_A }

Functions
CLI::App *	occ::main::add_elastic_fit_subcommand (CLI::App &app)
void	occ::main::run_elastic_fit_subcommand (const EFSettings &settings)