ENH/FIX: Castep block support in .param files and bug fix to .cell writer (!116) · Merge requests · ase / ase · GitLab

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username-removed-131198 requested to merge jameskermode/ase:castep into master Feb 12, 2016

Support for blocks in .param files - added to CASTEP in release 16
Bug fix to castep .cell file writer - castep_cell instance was not passed along