Package pipe_control :: Module fix
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Module fix

source code

Module for holding certain model components fixed during optimisation.

Functions [hide private]
 
fix(element, fixed)
Fix or allow certain model components values to vary during optimisation.
source code
Variables [hide private]
  __package__ = 'pipe_control'

Imports: RelaxError, RelaxNoSequenceError, RelaxNoTensorError, exists_mol_res_spin_data, spin_loop, check_pipe


Function Details [hide private]

fix(element, fixed)

source code 

Fix or allow certain model components values to vary during optimisation.

Parameters:
  • element (str.) - The model component to fix or unfix. If set to 'diff', then the diffusion parameters can be toggled. If set to 'all_spins', then all spins can be toggled. If set to 'all', then all model components are toggled.