Defaults
DFControl.configuredefault_pseudos
— Method.configuredefault_pseudos(server = getdefault_server(), pseudo_dirs=getdefault_pseudodirs())
Reads the specified default_pseudo_dirs
on the default_server
and sets up the default_pseudos
variable, and also adds all the entries to the user_defaults.jl
file.
DFControl.getdefault_pseudo
— Function.getdefault_pseudo(atom::Symbol, pseudo_setname=:default; pseudospecifier=nothing)
Returns the pseudo potential string linked to the atom.
DFControl.getdefault_pseudodirs
— Method.getdefault_pseudodirs()
Returns the default pseudo dirs if it's defined. If it is not defined return nothing.
DFControl.getdefault_server
— Method.getdefault_server()
Returns the default server if it's defined. If it is not defined return "".
DFControl.removedefault_input
— Method.removedefault_input(input::Symbol)
Remove input from the default_inputs
variable. Also removes the stored input file.
DFControl.removedefault_pseudodir
— Method.removedefault_pseudodir(pseudo_symbol::Symbol)
Removes entry with flag pseudo_symbol
from the default_pseudodirs
and user_defaults.jl
file.
DFControl.removedefault_pseudos
— Method.removedefault_pseudos(pseudo_symbol::Symbol)
Removes all pseudo entries with flag pseudo_symbol
from the default_pseudos
.
DFControl.setdefault_input
— Method.setdefault_input(input::dfinput, structure, calculation::Symbol)
Adds the input to the default_inputs
variable, and writes it to a file in user_defaults folder to be read every time on load.
DFControl.setdefault_jobheader
— Method.setdefault_jobheader(lines)
Sets the header that will get added to each job.tt file, if no other header was specified.
DFControl.setdefault_pseudodir
— Method.setdefault_pseudodir(pseudo_symbol::Symbol, dir::String)
Adds an entry inside the default_pseudodirs
with flag pseudo_symbol
, and adds it to the user_defaults.jl
file.
DFControl.setdefault_server
— Method.setdefault_server(server::String)
Sets the default server variable, and also adds it to the user_defaults.jl
file.