* added functionality and new scripts such as cp2k2data
0.10.0
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* Added functions to help select configurations based on a criteria (such as CV value) by adding a "bin_settings" option to filter_col * added a "comb_col" script to combine two column values with optional "prefix", "suffix", and "middle"
0.9.1
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* Updated pdb_edit to fill in the element column of a pdb file (sometime VMD removes it). The program uses a dictionary of atom_type,element based on CHARMM36. Users can specify a different mapping of PDB atom types to element types.
0.9.0
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* Now uses the csv.QUOTE_NONNUMERIC option for writing and reading, to automatically convert to floats
0.8.2
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* Updated data_edit so that output is formatted into columns. Additionally, when comparing data files, lines that differ only by more a specified tolerance (~1e-5) are now ignored.
0.8.1
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* Now correctly sorts differences between data files, ignoring comments, unimportant ordering...