aiida_crystal17.parsers package¶
Subpackages¶
- aiida_crystal17.parsers.raw package
- Submodules
- aiida_crystal17.parsers.raw.crystal_fort25 module
- aiida_crystal17.parsers.raw.crystal_fort9 module
- aiida_crystal17.parsers.raw.crystal_ppan module
- aiida_crystal17.parsers.raw.crystal_stdout module
- aiida_crystal17.parsers.raw.doss_input module
- aiida_crystal17.parsers.raw.gaussian_cube module
- aiida_crystal17.parsers.raw.inputd12_read module
- aiida_crystal17.parsers.raw.inputd12_write module
- aiida_crystal17.parsers.raw.main_out module
- aiida_crystal17.parsers.raw.parse_bases module
- aiida_crystal17.parsers.raw.parse_fort34 module
- aiida_crystal17.parsers.raw.pbs module
- aiida_crystal17.parsers.raw.prop_inputs module
- aiida_crystal17.parsers.raw.properties_stdout module
- aiida_crystal17.parsers.raw.vesta module
- Module contents
Submodules¶
aiida_crystal17.parsers.cry_doss module¶
A parser to read output from a CRYSTAL17 DOSS run.
-
class
aiida_crystal17.parsers.cry_doss.
CryDossParser
(node)[source]¶ Bases:
aiida.parsers.parser.Parser
Parser class for parsing outputs from CRYSTAL17
properties
DOSS computation.Construct the Parser instance.
- Parameters
node – the CalcJobNode that contains the results of the executed CalcJob process.
-
_abc_impl
= <_abc_data object>¶
aiida_crystal17.parsers.cry_ech3 module¶
A parser to read output from a CRYSTAL17 DOSS run.
-
class
aiida_crystal17.parsers.cry_ech3.
CryEch3Parser
(node)[source]¶ Bases:
aiida.parsers.parser.Parser
Parser class for parsing outputs from CRYSTAL17
properties
ECH3 computation.Construct the Parser instance.
- Parameters
node – the CalcJobNode that contains the results of the executed CalcJob process.
-
_abc_impl
= <_abc_data object>¶
aiida_crystal17.parsers.cry_main module¶
A parser to read output from a standard CRYSTAL17 run
-
class
aiida_crystal17.parsers.cry_main.
CryMainParser
(node)[source]¶ Bases:
aiida.parsers.parser.Parser
Parser class for parsing (stdout) output of a standard CRYSTAL17 run.
Construct the Parser instance.
- Parameters
node – the CalcJobNode that contains the results of the executed CalcJob process.
-
_abc_impl
= <_abc_data object>¶
aiida_crystal17.parsers.cry_newk module¶
A parser to read output from a CRYSTAL17 DOSS run.
-
class
aiida_crystal17.parsers.cry_newk.
CryNewkParser
(node)[source]¶ Bases:
aiida.parsers.parser.Parser
Parser class for parsing outputs from CRYSTAL17
properties
NEWK computation.Construct the Parser instance.
- Parameters
node – the CalcJobNode that contains the results of the executed CalcJob process.
-
_abc_impl
= <_abc_data object>¶
aiida_crystal17.parsers.cry_ppan module¶
A parser to read output from a CRYSTAL17 properties PPAN run.
-
class
aiida_crystal17.parsers.cry_ppan.
CryPpanParser
(node)[source]¶ Bases:
aiida.parsers.parser.Parser
Parser class for parsing outputs from CRYSTAL17
properties
PPAN computation.Construct the Parser instance.
- Parameters
node – the CalcJobNode that contains the results of the executed CalcJob process.
-
_abc_impl
= <_abc_data object>¶
Module contents¶
parsers for CRYSTAL17