aiida-spirit
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API documentation
aiida-spirit
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Index
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A
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B
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C
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D
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E
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G
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I
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L
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M
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P
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S
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U
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W
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__abstractmethods__ (aiida_spirit.calculations.SpiritCalculation attribute)
(aiida_spirit.parsers.SpiritParser attribute)
__dict__ (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder attribute)
__enter__() (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder method)
__exit__() (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder method)
__iadd__() (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder method)
__init__() (aiida_spirit.parsers.SpiritParser method)
(aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder method)
__module__ (aiida_spirit.calculations.SpiritCalculation attribute)
(aiida_spirit.parsers.SpiritParser attribute)
(aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder attribute)
(aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder attribute)
__str__() (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder method)
__weakref__ (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder attribute)
_abc_impl (aiida_spirit.calculations.SpiritCalculation attribute)
(aiida_spirit.parsers.SpiritParser attribute)
_DEFAULT_INPUT_FILE (aiida_spirit.calculations.SpiritCalculation attribute)
_DEFAULT_OUTPUT_FILE (aiida_spirit.calculations.SpiritCalculation attribute)
_dict_to_arg_string() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder static method)
_file_not_found() (aiida_spirit.parsers.SpiritParser method)
_get_geometry() (in module aiida_spirit.calculations)
_method_dict (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder attribute)
_modify_line() (in module aiida_spirit.calculations)
_module_dict (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder attribute)
_parse_if_found() (aiida_spirit.parsers.SpiritParser method)
_plot_spins_vfr() (in module aiida_spirit.tools.plotting)
_solver_dict (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder attribute)
_spirit_call() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder method)
A
aiida_spirit
module
aiida_spirit.calculations
module
aiida_spirit.cli
module
aiida_spirit.data
module
aiida_spirit.data._formatting_info
module
aiida_spirit.data._type_check
module
aiida_spirit.parsers
module
aiida_spirit.tools
module
aiida_spirit.tools._vfr
module
aiida_spirit.tools.get_from_remote
module
aiida_spirit.tools.helpers
module
aiida_spirit.tools.plotting
module
aiida_spirit.tools.spirit_script_builder
module
B
block() (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder method)
C
configuration() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder method)
convert_bool() (in module aiida_spirit.data._type_check)
D
define() (aiida_spirit.calculations.SpiritCalculation class method)
E
empty_line() (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder method)
G
get_code() (in module aiida_spirit.tools.helpers)
get_computer() (in module aiida_spirit.tools.helpers)
get_defects_info() (aiida_spirit.calculations.SpiritCalculation method)
get_file_content_from_remote() (in module aiida_spirit.tools.get_from_remote)
get_path_to_executable() (in module aiida_spirit.tools.helpers)
I
import_modules() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder method)
indentation (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder attribute)
indentation_increment (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder attribute)
init_spinview() (in module aiida_spirit.tools.plotting)
L
list_remote_files() (in module aiida_spirit.tools.get_from_remote)
list_to_arg_string() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder static method)
M
method() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder method)
module
aiida_spirit
aiida_spirit.calculations
aiida_spirit.cli
aiida_spirit.data
aiida_spirit.data._formatting_info
aiida_spirit.data._type_check
aiida_spirit.parsers
aiida_spirit.tools
aiida_spirit.tools._vfr
aiida_spirit.tools.get_from_remote
aiida_spirit.tools.helpers
aiida_spirit.tools.plotting
aiida_spirit.tools.spirit_script_builder
module() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder method)
P
parse() (aiida_spirit.parsers.SpiritParser method)
parse_outfile() (in module aiida_spirit.parsers)
parse_retrieved() (aiida_spirit.parsers.SpiritParser method)
parse_temporary_retrieved() (aiida_spirit.parsers.SpiritParser method)
prepare_for_submission() (aiida_spirit.calculations.SpiritCalculation method)
prepare_test_inputs() (in module aiida_spirit.tools.helpers)
PythonScriptBuilder (class in aiida_spirit.tools.spirit_script_builder)
S
setup() (in module aiida_spirit.tools._vfr)
show_spins() (in module aiida_spirit.tools.plotting)
solver() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder method)
SpiritCalculation (class in aiida_spirit.calculations)
SpiritParser (class in aiida_spirit.parsers)
SpiritScriptBuilder (class in aiida_spirit.tools.spirit_script_builder)
start_simulation() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder method)
state_block() (aiida_spirit.tools.spirit_script_builder.SpiritScriptBuilder method)
U
update() (in module aiida_spirit.tools._vfr)
V
validate_array() (in module aiida_spirit.data._type_check)
validate_bool() (in module aiida_spirit.data._type_check)
validate_float() (in module aiida_spirit.data._type_check)
validate_input_dict() (in module aiida_spirit.data._type_check)
validate_int() (in module aiida_spirit.data._type_check)
validate_params() (in module aiida_spirit.calculations)
validate_range() (in module aiida_spirit.data._type_check)
validate_string() (in module aiida_spirit.data._type_check)
verify_input_para() (in module aiida_spirit.data._type_check)
W
write() (aiida_spirit.tools.spirit_script_builder.PythonScriptBuilder method)
write_couplings_file() (aiida_spirit.calculations.SpiritCalculation method)
write_defects_file() (aiida_spirit.calculations.SpiritCalculation method)
write_initial_configuration() (aiida_spirit.calculations.SpiritCalculation method)
write_input_cfg() (aiida_spirit.calculations.SpiritCalculation method)
write_mc_script() (aiida_spirit.calculations.SpiritCalculation method)
write_pinning_file() (aiida_spirit.calculations.SpiritCalculation method)
write_run_spirit() (aiida_spirit.calculations.SpiritCalculation method)
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