Index

A

add_serialized function atmnrs variable

AtomMatrix class function, [1], [2], [3], [4], [5] AtomVector typedef

B

box variable

C

C++ RAII Wrappers group c_force_eam function c_struct function, [1] CalcResult function calculate function, [1], [2] capability variable check_status function checkParams function class AtomMatrix GenericPotImpl PotClient rgpot::cache::KeyHash rgpot::cache::PotentialCache rgpot::CalcResult rgpot::CuH2Pot rgpot::Error rgpot::InputSpec rgpot::LJPot rgpot::PotentialBase rgpot::PotentialHandle rgpot::registry rgpot::RpcClient rgpot::types::AtomMatrix

cols function, [1] convertAtomNumbersFromCapnp function convertBoxMatrixFromCapnp function convertPositionsFromCapnp function convertToArray3x3 function convertToAtomMatrix function, [1] convertToEigen function convertToEigen3d function convertToVector function, [1] convertToXtensor function count variable CuH2Pot function

D

data function, [1], [2], [3]

deserialize_hit function

E

energy function variable

Error function

F

F variable find function forceCalls variable forceImpl function, [1] forces_data function forces_vec function from_callback function from_impl function function add_serialized AtomMatrix, [1], [2], [3], [4], [5] c_force_eam c_struct, [1] CalcResult calculate, [1], [2] check_status checkParams cols, [1] convertAtomNumbersFromCapnp convertBoxMatrixFromCapnp convertPositionsFromCapnp convertToArray3x3 convertToAtomMatrix, [1] convertToEigen convertToEigen3d convertToVector, [1] convertToXtensor CuH2Pot data, [1], [2], [3] deserialize_hit energy Error find forceImpl, [1] forces_data forces_vec from_callback from_impl GenericPotImpl get_type has_forces incrementForceCalls InputSpec, [1] KeyHash LJPot main n_atoms operator(), [1], [2], [3], [4] operator=, [1] populateAtomNumbersToCapnp populateBoxMatrixToCapnp populateForcesToCapnp populatePositionsToCapnp pot_calculate, [1] pot_client_free, [1] pot_client_init, [1] pot_get_last_error, [1] PotClient PotentialBase PotentialCache, [1] PotentialHandle, [1] raw rows, [1] RpcClient, [1] set_db size, [1] variance Zero, [1] zeroForceOut

G

GenericPotImpl class function get_type function

global namespace group C++ RAII Wrappers

H

has_forces function hash variable

head variable

I

incrementForceCalls function

InputSpec function, [1]

K

key variable

KeyHash function

L

last_error variable

LJPot function

M

main function

N

n_atoms function namespace global rgpot rgpot::cache rgpot::details rgpot::types rgpot::types::adapt rgpot::types::adapt::capnp rgpot::types::adapt::eigen rgpot::types::adapt::xtensor std

nAtoms variable next variable

O

operator() function, [1], [2], [3], [4]

operator= function, [1]

P

populateAtomNumbersToCapnp function populateBoxMatrixToCapnp function populateForcesToCapnp function populatePositionsToCapnp function pos variable pot_calculate function, [1] pot_client_free function, [1] pot_client_init function, [1]

pot_get_last_error function, [1] PotClient class function typedef PotentialBase function PotentialCache function, [1] PotentialHandle function, [1] prev variable

R

raw function rgpot namespace rgpot::cache namespace rgpot::cache::KeyHash class rgpot::cache::PotentialCache class rgpot::CalcResult class rgpot::CuH2Pot class rgpot::details namespace rgpot::Error class rgpot::ForceInput struct rgpot::ForceOut struct rgpot::InputSpec class rgpot::LJPot class rgpot::PotentialBase class rgpot::PotentialHandle class rgpot::registry class rgpot::RpcClient class rgpot::types namespace rgpot::types::adapt namespace rgpot::types::adapt::capnp namespace rgpot::types::adapt::eigen namespace rgpot::types::adapt::xtensor namespace rgpot::types::AtomMatrix class rgpot_core rgpot_core::c_api rgpot_core::c_api::potential rgpot_core::c_api::potential::rgpot_potential_calculate rgpot_core::c_api::potential::rgpot_potential_free rgpot_core::c_api::potential::rgpot_potential_new

rgpot_core::c_api::rpc rgpot_core::c_api::rpc::rgpot_rpc_calculate rgpot_core::c_api::rpc::rgpot_rpc_client_free rgpot_core::c_api::rpc::rgpot_rpc_client_new rgpot_core::c_api::rpc::rgpot_rpc_client_t rgpot_core::c_api::types rgpot_core::c_api::types::rgpot_force_input_create rgpot_core::c_api::types::rgpot_force_input_free rgpot_core::c_api::types::rgpot_force_out_create rgpot_core::potential rgpot_core::potential::FreeFn rgpot_core::potential::PotentialCallback rgpot_core::potential::PotentialImpl rgpot_core::potential::rgpot_potential_t rgpot_core::Potentials_capnp rgpot_core::rpc rgpot_core::rpc::client rgpot_core::rpc::client::RpcClient rgpot_core::rpc::server rgpot_core::rpc::server::rgpot_rpc_server_start rgpot_core::status rgpot_core::status::rgpot_last_error rgpot_core::status::rgpot_status_t rgpot_core::status::rgpot_status_t::RGPOT_BUFFER_SIZE_ERROR rgpot_core::status::rgpot_status_t::RGPOT_INTERNAL_ERROR rgpot_core::status::rgpot_status_t::RGPOT_INVALID_PARAMETER rgpot_core::status::rgpot_status_t::RGPOT_RPC_ERROR rgpot_core::status::rgpot_status_t::RGPOT_SUCCESS rgpot_core::tensor rgpot_core::tensor::rgpot_tensor_cpu_f64_2d rgpot_core::tensor::rgpot_tensor_cpu_f64_matrix3 rgpot_core::tensor::rgpot_tensor_cpu_i32_1d rgpot_core::tensor::rgpot_tensor_data rgpot_core::tensor::rgpot_tensor_device rgpot_core::tensor::rgpot_tensor_free rgpot_core::tensor::rgpot_tensor_owned_cpu_f64_2d rgpot_core::tensor::rgpot_tensor_shape rgpot_core::types rgpot_core::types::rgpot_force_input_t rgpot_core::types::rgpot_force_input_t::atomic_numbers rgpot_core::types::rgpot_force_input_t::box_matrix rgpot_core::types::rgpot_force_input_t::positions rgpot_core::types::rgpot_force_out_t rgpot_core::types::rgpot_force_out_t::energy rgpot_core::types::rgpot_force_out_t::forces rgpot_core::types::rgpot_force_out_t::variance rows function, [1] rpc_client variable RpcClient function, [1]

S

set_db function size function, [1]

std namespace struct rgpot::ForceInput rgpot::ForceOut

T

typedef AtomVector PotClient

V

variable atmnrs box capability count energy F forceCalls hash head key last_error nAtoms next pos prev rpc_client variance wait_scope

variance function variable

W

wait_scope variable

Z

Zero function, [1]

zeroForceOut function