Index

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__init__() (pypwdft.PeriodicSystem method) (pypwdft.PyPWDFT method) (pypwdft.SystemBuilder method)

A

add_atom() (pypwdft.PeriodicSystem method)

api

B

Background

C

calculate_ewald_sum() (pypwdft.PeriodicSystem method)

calculate_vpot() (pypwdft.PeriodicSystem method) Community Guidelines

F

from_file() (pypwdft.SystemBuilder method)

from_name() (pypwdft.SystemBuilder method)

G

get_atom_charges() (pypwdft.PeriodicSystem method) get_atom_positions() (pypwdft.PeriodicSystem method) get_ct() (pypwdft.PeriodicSystem method) get_nelec() (pypwdft.PeriodicSystem method) get_npts() (pypwdft.PeriodicSystem method)

get_omega() (pypwdft.PeriodicSystem method) get_pw_k() (pypwdft.PeriodicSystem method) get_pw_k2() (pypwdft.PeriodicSystem method) get_r() (pypwdft.PeriodicSystem method) get_r_norms() (pypwdft.PeriodicSystem method)

I

Installation

M

module pypwdft

P

PeriodicSystem (class in pypwdft) pypwdft module

PyPWDFT (class in pypwdft)

S

scf() (pypwdft.PyPWDFT method)

SystemBuilder (class in pypwdft)

T

translate() (pypwdft.PeriodicSystem method)

U

Usage