Index

A

agg2lammps (module)

analysis (module) analyzeFragments() (in module analysis)

C

calculateVASPtemp() (in module utils) cart2dir (module)

convertAdsorbateToHe() (in module krr_utils) coordLabeller() (in module analysis)

E

energyanimator (module)

F

flatten() (in module utils)

G

gen2pos (module) genvis (module) getabBondcountStructure() (in module visualization) getBondSubset() (in module analysis)

getslab() (in module structure) getslabs() (in module structure) getSOAPs() (in module krr_utils) (in module placeadsorbates) gridVasp() (in module input_generation)

I

input_generation (module)

K

KE() (in module utils)

krr_utils (module)

L

latticeconstmod (module)

M

main() (in module energyanimator) (in module placeadsorbates)

measure_damage_depth (module)

N

normalize() (in module utils)

O

oszicarSearch() (in module energyanimator)

P

pbcprettify (module) periodicprocess (module) placeadsorbates (module) plotBondDistributionComposition() (in module analysis) plotElemDist() (in module visualization)

postprocessAggregated() (in module postprocessing) postprocessing (module) postprocessResults() (in module postprocessing) predictz() (in module krr_utils) (in module placeadsorbates)

R

random_velos (module) randomGrid() (in module input_generation) randomGridMultiple() (in module input_generation) readData() (in module utils)

readStructs() (in module utils) refstructs (module) regionalMaxHeight() (in module krr_utils) rulez() (in module krr_utils)

S

seed_monolayer (module)

show_atoms_grid() (in module visualization) structure (module)

T

translatepos (module) transmute (module)

transmute() (in module transmute) trim (module) trimandseed (module)

U

utils (module)

V

v_from_KE() (in module utils)

viewStructs() (in module visualization) visualization (module)

W

write_transmuted() (in module transmute)