aiida_gulp.parsers package¶
Subpackages¶
- aiida_gulp.parsers.raw package
- Submodules
- aiida_gulp.parsers.raw.parse_output_common module
- aiida_gulp.parsers.raw.parse_output_fit module
- aiida_gulp.parsers.raw.parse_output_std module
- aiida_gulp.parsers.raw.write_geometry module
- aiida_gulp.parsers.raw.write_input module
- aiida_gulp.parsers.raw.write_input_fitting module
- Module contents
Submodules¶
aiida_gulp.parsers.parse_fitting module¶
A parser to read output from a standard CRYSTAL17 run
-
class
aiida_gulp.parsers.parse_fitting.
GulpFittingParser
(node)[source]¶ Bases:
aiida.parsers.parser.Parser
Parser class for parsing output of a GULP potential fitting calculation
Construct the Parser instance.
- Parameters
node – the CalcJobNode that contains the results of the executed CalcJob process.
aiida_gulp.parsers.parse_opt module¶
A parser to read output from a standard CRYSTAL17 run
-
class
aiida_gulp.parsers.parse_opt.
GulpOptParser
(node)[source]¶ Bases:
aiida.parsers.parser.Parser
Parser class for parsing output of a GULP single point energy calculation
Construct the Parser instance.
- Parameters
node – the CalcJobNode that contains the results of the executed CalcJob process.
aiida_gulp.parsers.parse_single module¶
A parser to read output from a standard CRYSTAL17 run
-
class
aiida_gulp.parsers.parse_single.
GulpSingleParser
(node)[source]¶ Bases:
aiida.parsers.parser.Parser
Parser class for parsing output of a GULP single point energy calculation
Construct the Parser instance.
- Parameters
node – the CalcJobNode that contains the results of the executed CalcJob process.