Index

A

add_serialized function atmnrs variable

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

B

box variable

C

c_force_eam function calculate function capability variable checkParams function class AtomMatrix GenericPotImpl PotClient rgpot::cache::KeyHash rgpot::cache::PotentialCache rgpot::CuH2Pot rgpot::LJPot rgpot::PotentialBase rgpot::registry 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 variable

F

F variable find function forceCalls variable forceImpl function, [1] function add_serialized AtomMatrix, [1], [2], [3], [4], [5] c_force_eam calculate checkParams cols, [1] convertAtomNumbersFromCapnp convertBoxMatrixFromCapnp convertPositionsFromCapnp convertToArray3x3 convertToAtomMatrix, [1] convertToEigen convertToEigen3d convertToVector, [1] convertToXtensor CuH2Pot data, [1], [2], [3] deserialize_hit find forceImpl, [1] GenericPotImpl get_type incrementForceCalls KeyHash LJPot main operator(), [1], [2], [3], [4] populateAtomNumbersToCapnp populateBoxMatrixToCapnp populateForcesToCapnp populatePositionsToCapnp pot_calculate, [1] pot_client_free, [1] pot_client_init, [1] pot_get_last_error, [1] PotClient PotentialBase PotentialCache, [1] rows, [1] set_db size, [1] Zero, [1] zeroForceOut

G

GenericPotImpl class function

get_type function global namespace

H

hash variable

head variable

I

incrementForceCalls function

K

key variable

KeyHash function

L

last_error variable

LJPot function

M

main function

N

namespace global rgpot rgpot::cache rgpot::types rgpot::types::adapt rgpot::types::adapt::capnp rgpot::types::adapt::eigen rgpot::types::adapt::xtensor

nAtoms variable next variable

O

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

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] prev variable

R

rgpot namespace rgpot::cache namespace rgpot::cache::KeyHash class rgpot::cache::PotentialCache class rgpot::CuH2Pot class rgpot::ForceInput struct rgpot::ForceOut struct rgpot::LJPot class rgpot::PotentialBase class

rgpot::registry 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 rows function, [1] rpc_client variable

S

set_db function size function, [1]

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 variable

W

wait_scope variable

Z

Zero function, [1]

zeroForceOut function