/CppPolyorder.jl

A Julia wrapper for the C++ Polyorder library.

Primary LanguageJuliaMIT LicenseMIT

CppPolyorder Stable Dev Build Status Build Status Build Status Coverage

This package provides an interface to essential functionalities of C++ CppPolyorder library.

Install

In Julia REPL, press ] to enter the Package mode, then run the following command.

(v1.5) pkg> add https://github.com/liuyxpp/CppPolyorder.jl

Interface

Objects

Config
Model
Model_AB
Model_AB_A
Model_AB3_A

Functions from C++ CppPolyorder library

H
Hi  # only for Model_AB_A and Model_AB3_A
Hs
Hw
Qc  # only for Model_AB_A and Model_AB3_A
Qh  # only for Model_AB_A and Model_AB3_A
display
display_parameters
get_config_data  # for Config
incomp
init
mu  # only for Model_AB_A and Model_AB3_A
muc  # only for Model_AB_A and Model_AB3_A
muh  # only for Model_AB_A and Model_AB3_A
reset
residual_error
save
save_density
save_field
save_mode
save_q
set_config_data  # for Config
update
version  # for Config

Utility functions

parse_config
init_model
reset_model!
run!
scft
brent_init
optimize_cell!
free_energy!
grand_potential

Links