Index

_

_accumulate() (exma.core.MDObservable method) _calculate() (exma.core.MDObservable method) _end() (exma.core.MDObservable method) _local_configure() (exma.core.MDObservable method) _mask_type() (exma.core.AtomicSystem method)

_natoms_type() (exma.core.AtomicSystem method) _sort() (exma.core.AtomicSystem method) _sorted() (exma.core.AtomicSystem method) _unwrap() (exma.core.AtomicSystem method) _wrap() (exma.core.AtomicSystem method)

A

AtomicSystem (class in exma.core)

B

bcc() (exma.io.positions.Positions method)

BlockAverage (class in exma.statistics)

C

calculate() (exma.cluster.EffectiveNeighbors method) (exma.cn.CoordinationNumber method) (exma.core.MDObservable method) (exma.msd.MeanSquareDisplacement method) (exma.rdf.RadialDistributionFunction method) (exma.statistics.BlockAverage method) (exma.vacf.VelocityAutocorrelationFunction method)

characterize() (exma.cluster.DBSCAN method) CoordinationNumber (class in exma.cn)

D

DBSCAN (class in exma.cluster)

dc() (exma.io.positions.Positions method)

E

EffectiveNeighbors (class in exma.cluster) exma.cluster module exma.cn module exma.core module exma.distances module exma.electrochemistry module exma.io module

exma.io.positions module exma.io.reader module exma.io.writer module exma.msd module exma.rdf module exma.statistics module exma.vacf module

F

fcc() (exma.io.positions.Positions method)

formation_energy() (in module exma.electrochemistry) fractional_volume_change() (in module exma.electrochemistry)

L

LAMMPS (class in exma.io.reader) (class in exma.io.writer)

lammpstrj2inlmp() (in module exma.io) lammpstrj2xyz() (in module exma.io)

M

MDObservable (class in exma.core) MeanSquareDisplacement (class in exma.msd) module exma.cluster exma.cn exma.core exma.distances exma.electrochemistry exma.io exma.io.positions exma.io.reader exma.io.writer exma.msd exma.rdf exma.statistics exma.vacf

O

of_this_frame() (exma.cluster.DBSCAN method)

P

pbc_distances() (in module exma.distances) plot() (exma.core.MDObservable method) (exma.msd.MeanSquareDisplacement method) (exma.rdf.RadialDistributionFunction method) (exma.statistics.BlockAverage method) (exma.vacf.VelocityAutocorrelationFunction method)

Positions (class in exma.io.positions)

R

RadialDistributionFunction (class in exma.rdf) read_frame() (exma.core.TrajectoryReader method) (exma.io.reader.LAMMPS method) (exma.io.reader.XYZ method) read_lammpstrj() (in module exma.io.reader)

read_log_lammps() (in module exma.io.reader) read_traj() (exma.core.TrajectoryReader method) (exma.io.reader.LAMMPS method) (exma.io.reader.XYZ method) read_xyz() (in module exma.io.reader) replicate() (in module exma.io.positions)

S

sc() (exma.io.positions.Positions method)

spherical_nanoparticle() (in module exma.io.positions) sro() (in module exma.cluster)

T

to_dataframe() (exma.cn.CoordinationNumber method) (exma.core.MDObservable method)

TrajectoryReader (class in exma.core) TrajectoryWriter (class in exma.core)

V

VelocityAutocorrelationFunction (class in exma.vacf)

voltage() (in module exma.electrochemistry)

W

write_frame() (exma.core.TrajectoryWriter method) (exma.io.writer.LAMMPS method) (exma.io.writer.XYZ method) write_in_lammps() (in module exma.io.writer)

write_lammpstrj() (in module exma.io.writer) write_traj() (exma.core.TrajectoryWriter method) (exma.io.writer.LAMMPS method) (exma.io.writer.XYZ method) write_xyz() (in module exma.io.writer)

X

XYZ (class in exma.io.reader) (class in exma.io.writer)

xyz2inlmp() (in module exma.io) xyz2lammpstrj() (in module exma.io)