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Releases: ajjackson/mctools

mctools version 1.1

19 Apr 13:32
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  • "sendto" now looks for a config file in home directory
  • "sendto" options to skip large VASP files
  • New CPLAP plotter
  • Add "get-minimum" for quick extraction of low-energy structure from trajectory

mctools version 1.0

25 Apr 11:48
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Changes since v0.2:

  • Two more quick tools added (get-volume and get-spacegroup)
  • Better Python3 compatibility
  • Major version number has been incremented because user interface has substantially moved towards positional arguments and away from quasi-mandatory optional arguments

mctools version 0.2

01 Mar 11:52
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Added a new tool for reading SQS output from ATAT.

mctools version 0.1

04 Nov 14:44
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The first versioned release of mctools. These tools were developed for personal use but may be of use to colleagues and others.

Some tools will get a little more polish from here, and maybe others will be added.
There is currently no ambition to turn this into a general framework; ideally most of these tools are just thin wrappers around functions in ASE.