Report changes #98
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Report changes #98
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Automatic export output file now include the name of input structure file.
As mentioned in issue #88 : When not analyzing a crystal unit cell, in single probe mode, the first cavity includes outside space without any meaningful boundary. Therefore the reported volume is meaningless. Consequently, the total probe core volume is also meaningless. Similarly, in two probes mode, the total large probe core volume is meaningless. This information is now clearly given in the UI and report output file.
jmaglic
requested changes
Jul 4, 2021
Remove the volume values that are meaningless because they include an unlimited outside space.
Add missing line breaks.
jmaglic
requested changes
Jul 5, 2021
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Small additions/fixes to the reported values.
Note that the volumes including outside space are tagged in the UI, calculation report file and command line output but the change was not tested in the command line output.