Index

C

cmap() (matmacore.plot.Plot method), [1] combiner() (matmacore.mol.Reaction static method), [1] connectivity_matrix() (matmacore.mol.Mol method), [1] contour() (matmacore.plot.Plot method), [1]

cp2k() (matmacore.mol.Mol method), [1] create_mol_list() (matmacore.mol.Reaction method), [1] create_reaction_list() (matmacore.mol.Reaction method), [1] csv() (matmacore.mol.Mol method), [1]

D

delta() (matmacore.mol.Reaction method), [1]

E

element_symbol() (matmacore.mol.Mol method), [1]

F

fes() (matmacore.plot.Plot method), [1]

foo_plot() (matmacore.plot.Plot method), [1]

G

gaussian() (matmacore.mol.Mol method), [1]

get_distance() (in module matmacore.utilities), [1] gromacs() (matmacore.mol.Mol method), [1]

H

hartree_to_kcal() (in module matmacore.utilities), [1]

M

matmacore module matmacore.mol module, [1] matmacore.plot module, [1] matmacore.utilities module, [1]

module matmacore matmacore.mol, [1] matmacore.plot, [1] matmacore.utilities, [1] Mol (class in matmacore.mol), [1] multi_profile() (matmacore.plot.Plot method), [1]

O

orca() (matmacore.mol.Mol method), [1]

P

Plot (class in matmacore.plot), [1] proper_minus() (in module matmacore.utilities), [1]

puckers_hist() (matmacore.plot.Plot method), [1] puckers_scatter() (matmacore.plot.Plot method), [1]

R

rdf() (matmacore.plot.Plot method), [1] Reaction (class in matmacore.mol), [1]

reaction_profile() (matmacore.plot.Plot method), [1] read_coordinates() (in module matmacore.utilities), [1]

S

savefig() (matmacore.plot.Plot method), [1] scatter() (matmacore.plot.Plot method), [1]

set_axes() (matmacore.plot.Plot method), [1] set_colors() (matmacore.plot.Plot method), [1] set_config() (matmacore.plot.Plot method), [1]

T

trajectory() (matmacore.plot.Plot method), [1]