- 01 Mar, 2018 3 commits
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Ask Hjorth Larsen authored
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Ask Hjorth Larsen authored
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Ask Hjorth Larsen authored
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- 06 Feb, 2018 2 commits
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Ask Hjorth Larsen authored
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Ask Hjorth Larsen authored
get coordinates from parser log, or from coordinates file taken from parser log. Get cell from static/info if it is listed
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- 11 Aug, 2017 1 commit
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Ask Hjorth Larsen authored
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- 01 Nov, 2016 2 commits
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Ask Hjorth Larsen authored
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Ask Hjorth Larsen authored
updates to ASE interface. Now supports experimental Octopus feature LatticeVectors, will not crash with spinors, input file parser can evaluate simple mathematical expressions (like 5 * angstrom) and uses a namespace to manage assignments
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- 22 Sep, 2016 1 commit
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Ask Hjorth Larsen authored
handle units correctly for simulation_cell. Also, the UnitsInput parameter can override Units. This is taken into account now
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- 04 Jul, 2016 1 commit
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Ask Hjorth Larsen authored
include new version of ase octopus parser because it is not out yet. This fixes some Python3 compatibility issues and contains other improvements.
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