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__init__(self,
mf)
Class used to create and process input and output for the program
Modelfree 4. |
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ask_stage(self)
User input of stage number. |
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close_mf_files(self,
dir)
Close the mfin, mfdata, mfmodel, mfpar, and run files, and make the
run file executable. |
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create_mfin(self)
Create the Modelfree input file mfin |
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create_mfmodel(self,
res,
md,
type='M1')
Create the M1 or M2 section of the Modelfree input file mfmodel |
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create_mfpar(self,
res)
Create the Modelfree input file mfpar |
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create_run(self,
dir)
Create the file 'run' to execute the model-free run |
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extract_mf_data(self)
Extract the model-free results. |
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open_mf_files(self,
dir)
Open the mfin, mfdata, mfmodel, mfpar, and run files for writing. |
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set_run_flags(self,
model)
Reset, and then set the flags in self.mf.usr_param.md1 and md2. |
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stage_initial(self)
Creation of the files for the Modelfree calculations for the models
in self.mf.data.runs. |
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stage_initial_cv(self)
Creation of the files for the Modelfree calculations for the models
in self.mf.data.runs. |
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set_vars_stage_initial(self)
Set the options for the initial runs. |
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set_vars_stage_selection(self)
Set the options for the final run. |
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Inherited from common_ops.common_ops :
extract_relax_data ,
fill_results ,
grace ,
grace_header ,
log_input_info ,
log_params ,
print_results ,
stage_selection ,
update_data
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