Utility

@cswitch(constexpr, body)

Provides a C-like switch statement with the falling through behavior. This implementation was borrowed from the following github repository:

• https://github.com/Gnimuc/CSyntax.jl

Examples

engine = get_d("engine")
@cswitch engine begin
    @case "vasp"
        just_do_it()
        break

    @default
        sorry()
        break
end

@time_call(ex)

Evaluate a function call (ex), and then print the elapsed time (number of seconds) it took to execute.

This macro is a variation of the standard @elapsed macro.

@pcs(x...)

Try to print colorful strings. Here x is a combination of strings and colors. Its format likes string1 color1 string2 color2 (repeat). For the supported colors, please check the global dict COLORS.

Examples

julia> @pcs "Hello world!" blue
julia> @pcs "Hello " red "world!" green

See also: COLORS, welcome.

COLORS

A global dict, which is used to specify the system colors.

MODES

A global dict, which is used to specify the mode for output characters.

require()

Check the version of julia runtime environment. It should be higher than v1.6.x. One of the most important philosophies of the ZenCore package is minimizing the dependence on the third-party libraries as far as possible. Note that the ZenCore package relys on the TOML package to parse the *.toml file. Only in v1.6.0 and higher versions, julia includes the TOML package in its standard library.

setup_args(x::Vararg{String})

Setup ARGS manually. This function is used only in REPL environment. We can use this function to update ARGS, so that the query_args() and the other related functions can work correctly.

Examples

julia> setup_args("SrVO3.toml")
1-element Array{String,1}:
 "SrVO3.toml"

See also: query_args.

query_args()

Check whether the configuration file (case.toml) is provided.

See also: setup_args.

query_case()

Return case, in other words, the job's name.

See also: query_stop.

query_inps(::NULLEngine)
query_inps(::VASPEngine)
query_inps(::QEEngine)
query_inps(::WANNIEREngine)

Check whether the essential input files exist. It acts as a dispatcher. This function is designed for the DFT engine only. The input files for the DMFT engine, quantum impurity solver, and Kohn-Sham adaptor will be generated automatically by default. The ZenCore package will take care of them. Do not worry about that.

See also: query_case.

query_stop()

Query whether the case.stop file exists.

See also: query_case.

query_test()

Query whether the case.test file exists.

See also: query_case.

query_home()

Query the home directory of Zen. Actually, the ZEN_HOME means the directory that the Zen Framework is installed.

See also: query_core.

query_core()

Query the src/core directory of Zen. Actually, the ZEN_CORE denotes the directory that contains the ZenCore.jl file. Be careful, ZEN_CORE must be included in LOAD_PATH.

See also: query_home.

query_dft(ae::AbstractEngine)

Query the home directory of the chosen DFT backend. It supports vasp, quantum espresso, and wannier90 by now.

See also: query_dmft, query_solver.

query_dmft()

Query the home directory of the DMFT engine.

See also: query_dft, query_solver.

query_solver(as::AbstractSolver)

Query the home directories of various quantum impurity solvers. Now it supports CTHYB₁, CTHYB₂, HIA, and NORG.

See also: query_dft, query_dmft.

is_vasp()

Test whether the DFT backend is the vasp code.

See also: is_qe.

is_qe()

Test whether the DFT backend is the quantum espresso (pwscf) code.

See also: is_vasp.

is_plo()

Test whether the projector is the projected local orbitals.

See also: is_wannier.

is_wannier()

Test whether the projector is the wannier functions.

See also: is_plo.

welcome()

Print out the welcome messages to the screen.

overview()

Print out the overview of Zen to the screen.

goodbye()

Print the goodbye messages to the screen.

sorry()

Print an error message to the screen.

prompt(msg::String)

Print a stylized Zen message to the screen.

prompt(msg1::String, msg2::String)

Print a stylized Zen message to the screen.

prompt(io::IOStream, msg::String)

Print a stylized Zen message to the given IOStream. This function is used to log the key events during DFT + DMFT iterations.

line_to_array(io::IOStream)

Convert a line (reading from an IOStream) to a string array.

line_to_array(str::AbstractString)

Convert a string (AbstractString) to a string array.

line_to_cmplx(io::IOStream)

Convert a line (reading from an IOStream) to a cmplx number. It is used to parse the LOCPROJ file only.

See also: vaspio_projs.

erf(x::F64)

Calculate the Gauss error function.

See also: gauss_weight.

subscript(num::I64)

Convert a number (it must be in [0,9]) to subscript.

str_to_struct(str::AbstractString, postfix::AbstractString)

Convert a string (str) to an instance of struct. Here postfix could be Engine, Solver, Adaptor, Mode, and Mixer.

Examples

julia> str_to_struct("vasp", "Engine")
ZenCore.VASPEngine()

julia> str_to_struct("hia", "Solver")
ZenCore.HIASolver()

colorize(c::String, s::String; bg::String = "default", m::String="default")

Return some escape sequences, which will be displayed as colorized texts in the terminal.

colorize(c::String, s::String; bg::String = "default", m::String="default")

Return some escape sequences, which will be displayed as colorized texts in the terminal.