ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
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Classes | |
class | BindingEnergy |
Improved subclass of Target for fitting force fields to binding energies. More... | |
Functions | |
def | parse_interactions (input_file) |
Parse through the interactions input file. More... | |
Variables | |
logger = getLogger(__name__) | |
def src.binding.parse_interactions | ( | input_file | ) |
Parse through the interactions input file.
[in] | input_file | The name of the input file. |
Definition at line 32 of file binding.py.
src.binding.logger = getLogger(__name__) |
Definition at line 24 of file binding.py.