mcpele: Class Members - Variables

mcpele 1.0.0

The Monte Carlo Python Energy Landscape Explorer

- _ -

_12C12 : pele::lj_interaction , pele::lj_interaction_cut_smooth , pele::WCA_interaction
_156C12 : pele::lj_interaction , pele::lj_interaction_cut_smooth , pele::WCA_interaction
_2A2 : pele::lj_interaction_cut_smooth
_42C6 : pele::lj_interaction , pele::lj_interaction_cut_smooth , pele::WCA_interaction
_6C6 : pele::lj_interaction , pele::lj_interaction_cut_smooth , pele::WCA_interaction
_A : pele::morse_interaction , pele::NGT
_A0 : pele::lj_interaction_cut_smooth
_A2 : pele::lj_interaction_cut_smooth
_atoms1 : pele::AtomListPotential< pairwise_interaction, distance_policy >
_atoms2 : pele::AtomListPotential< pairwise_interaction, distance_policy >
_B : pele::NGT
_bdim : pele::OrthogonalizeTranslational , pele::LowestEigPotential
_box : pele::periodic_distance< ndim >
_C12 : pele::lj_interaction , pele::lj_interaction_cut_smooth , pele::WCA_interaction
_C6 : pele::lj_interaction , pele::lj_interaction_cut_smooth , pele::WCA_interaction
_coff2 : pele::WCA_interaction
_coords : pele::LowestEigPotential
_coordsd : pele::LowestEigPotential
_d : pele::OrthogonalizeTranslational , pele::LowestEigPotential
_dim2 : pele::MatrixAdapter< dtype >
_dist : pele::AtomListPotential< pairwise_interaction, distance_policy > , pele::CartesianDistanceWrapper< ndim > , pele::PeriodicDistanceWrapper< ndim > , pele::SimplePairwiseNeighborList< pairwise_interaction, distance_policy > , pele::SimplePairwisePotential< pairwise_interaction, distance_policy >
_distance : pele::BaseHarmonic
_eps : pele::HS_WCA_interaction , pele::InversePower_interaction , pele::InverseIntPower_interaction< POW > , pele::InverseHalfIntPower_interaction< POW2 > , pele::WCA_interaction
_g : pele::LowestEigPotential
_gd : pele::LowestEigPotential
_graph : pele::NGT
_ibox : pele::periodic_distance< ndim >
_infty : pele::HS_WCA_interaction
_interaction : pele::AtomListPotential< pairwise_interaction, distance_policy > , pele::SimplePairwiseNeighborList< pairwise_interaction, distance_policy > , pele::SimplePairwisePotential< pairwise_interaction, distance_policy >
_k : pele::BaseHarmonic
_natoms : pele::OrthogonalizeTranslational , pele::LowestEigPotential
_ndim : pele::OrthogonalizeTranslational , pele::PeriodicDistanceWrapper< ndim > , pele::periodic_distance< ndim > , pele::SimplePairwiseNeighborList< pairwise_interaction, distance_policy > , pele::SimplePairwisePotential< pairwise_interaction, distance_policy > , pele::cartesian_distance< ndim > , pele::BaseHarmonic , pele::AtomListPotential< pairwise_interaction, distance_policy > , pele::CartesianDistanceWrapper< ndim >
_neighbor_list : pele::SimplePairwiseNeighborList< pairwise_interaction, distance_policy >
_nparticles : pele::BaseHarmonic
_one_list : pele::AtomListPotential< pairwise_interaction, distance_policy >
_origin : pele::BaseHarmonic
_orthog : pele::LowestEigPotential
_potential : pele::LowestEigPotential
_potentials : pele::CombinedPotential
_pow : pele::InverseHalfIntPower_interaction< POW2 > , pele::InversePower_interaction , pele::InverseIntPower_interaction< POW >
_prfac : pele::HS_WCA_interaction
_r0 : pele::morse_interaction
_radii : pele::InversePower_interaction , pele::InverseIntPower_interaction< POW > , pele::InverseHalfIntPower_interaction< POW2 > , pele::HS_WCA_interaction
_rcut2 : pele::lj_interaction_cut_smooth
_rho : pele::morse_interaction
_sca : pele::HS_WCA_interaction
_tol : pele::OrthogonalizeTranslational
_tr_evec : pele::OrthogonalizeTranslational
_underlying_potential : pele::FrozenPotentialWrapper< PotentialType >

- c -

coords_converter : pele::FrozenPotentialWrapper< PotentialType >

- d -

debug : pele::NGT

- e -

edge_list_ : pele::Graph

- f -

f_ : pele::GradientOptimizer
final_committors : pele::NGT
final_omPxx : pele::NGT
final_tau : pele::NGT
func_initialized_ : pele::GradientOptimizer

- g -

g_ : pele::GradientOptimizer

- h -

head_ : pele::Edge

- i -

initial_tau : pele::NGT
intermediates : pele::NGT
iprint_ : pele::GradientOptimizer
is_periodic : pele::periodic_policy_check_helper< pele::periodic_distance< box_dimension >, box_dimension > , pele::periodic_policy_check_helper< T, box_dimension > , pele::periodic_policy_check< T >
iter_number_ : pele::GradientOptimizer

- m -

m_accept_count : mcpele::MC
m_accept_tests : mcpele::MC
m_accepted_steps : mcpele::AdaptiveTakeStep
m_actions : mcpele::MC
m_alpha : pele::sf_HS_WCA_interaction
m_atom_neighbor_list : pele::CellIter< distance_policy >
m_boxv : pele::CellIter< distance_policy >
m_cell_neighbor_pairs : pele::CellIter< distance_policy >
m_conf_reject_count : mcpele::MC
m_conf_tests : mcpele::MC
m_coords : mcpele::MC , pele::CellIter< distance_policy >
m_count : mcpele::GaussianCoordsDisplacement , mcpele::RandomCoordsDisplacement
m_delta : pele::sf_HS_WCA_interaction
m_dist : pele::PairIteratorPotential< pairwise_interaction, distance_policy, pair_iterator > , pele::CellIter< distance_policy >
m_distribution : mcpele::GaussianCoordsDisplacement , mcpele::MetropolisTest
m_E_reject_count : mcpele::MC
m_energy : mcpele::MC
m_eps : pele::sf_HS_WCA_interaction
m_factor : mcpele::AdaptiveTakeStep
m_generator : mcpele::GaussianCoordsDisplacement , mcpele::MetropolisTest , mcpele::RandomCoordsDisplacement
m_hist : mcpele::RecordEnergyHistogram
m_hoc : pele::CellIter< distance_policy >
m_initialised : pele::CellIter< distance_policy >
m_interaction : pele::PairIteratorPotential< pairwise_interaction, distance_policy, pair_iterator >
m_interval : mcpele::AdaptiveTakeStep
m_k : pele::harmonic_interaction
m_late_conf_tests : mcpele::MC
m_ll : pele::CellIter< distance_policy >
m_max_acceptance_ratio : mcpele::AdaptiveTakeStep
m_max_energy : mcpele::EnergyWindowTest
m_mean : mcpele::GaussianCoordsDisplacement
m_min_acceptance_ratio : mcpele::AdaptiveTakeStep
m_min_energy : mcpele::EnergyWindowTest
m_natoms : pele::CellIter< distance_policy >
m_ncells : pele::CellIter< distance_policy >
m_ncellx : pele::CellIter< distance_policy >
m_ndim : mcpele::CheckSphericalContainer , pele::PairIteratorPotential< pairwise_interaction, distance_policy, pair_iterator > , pele::CellIter< distance_policy >
m_neval : mcpele::MC
m_niter : mcpele::MC
m_nitercount : mcpele::MC
m_pair_iter : pele::PairIteratorPotential< pairwise_interaction, distance_policy, pair_iterator >
m_potential : mcpele::MC
m_prfac : pele::sf_HS_WCA_interaction
m_print_progress : mcpele::MC
m_radii : pele::sf_HS_WCA_interaction
m_radius2 : mcpele::CheckSphericalContainer
m_rcell : pele::CellIter< distance_policy >
m_rcut : pele::CellIter< distance_policy >
m_real_distribution : mcpele::RandomCoordsDisplacement
m_seed : mcpele::MetropolisTest , mcpele::GaussianCoordsDisplacement , mcpele::RandomCoordsDisplacement
m_stdev : mcpele::GaussianCoordsDisplacement
m_stepsize : mcpele::GaussianCoordsDisplacement , mcpele::RandomCoordsDisplacement
m_success : mcpele::MC
m_take_step : mcpele::MC
m_temperature : mcpele::MC
m_topology : pele::MeasureAngleAxisCluster , pele::TransformAACluster
m_total_steps : mcpele::AdaptiveTakeStep
m_trial_coords : mcpele::MC
m_trial_energy : mcpele::MC
m_ts : mcpele::AdaptiveTakeStep
m_xmax : pele::CellIter< distance_policy >
m_xmin : pele::CellIter< distance_policy >
maxiter_ : pele::GradientOptimizer
maxstep_ : pele::GradientOptimizer

- n -

next_node_id_ : pele::Graph
nfev_ : pele::GradientOptimizer
node_map_ : pele::Graph

- p -

P : pele::Edge
potential_ : pele::GradientOptimizer

- r -

rms_ : pele::GradientOptimizer

- s -

successor_map_ : pele::Node

- t -

- v -

verbosity_ : pele::GradientOptimizer

- w -

weights : pele::NGT

- x -

x_ : pele::GradientOptimizer

All Classes Namespaces Functions Variables Typedefs