tfep.utils.plumed.io.write_table

tfep.utils.plumed.io.write_table(data, file_path, col_names=None)[source]

Take a table in dict format and write it in the format used by PLUMED.

Currently, files are always overwritten.

Parameters:

  • data (Dict[str, numpy.ndarray]) – data[col_name][i] is i-th value for column ‘col_name’.

  • file_path (str) – The path to the file where to write the table.

  • col_names (List[str], optional) – Allow writing only a subset of columns. If not given, all columns are written.

See also

read_table