Md-utils

Latest version: v0.10.0

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0.8.0

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* Added capability to data_edit: now will show differences between data files, ignoring comments, unimportant ordering...

0.7.3

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* Changed data_reorder to data_edit, reflecting its additional capabilities.

0.7.2

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* Added data2data, data_reorder to distribution

0.7.1

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* Added dump_edit, pdb_edit, evbdump2data to distribution; these allow changes to, for example, the atom numbers

0.7.0

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* Added lammps_proc_data.py to calculate g(r) from a lammps dump file

0.6.0

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* Added lammps_dist to calculate atom pair distances as found in a LAMMPS dump file.

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