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conquest/tools
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David Bowler 6bdd284a89
Merge pull request #257 from OrderN/bugfix-eigenvalue-format 
Fix issues with eigenvalue output format
 		2023-09-15 12:59:42 +01:00
..
BasisGeneration Update system.make for PAO generation 2023-08-03 09:59:34 +01:00
PostProcessing Merge pull request #257 from OrderN/bugfix-eigenvalue-format 2023-09-15 12:59:42 +01:00
Conquest_ONCVPSP_output.patch Add overview of PAO generation procedure 2022-12-15 15:56:53 +09:00
README.md Initial import of charge conversion utility 2020-07-21 15:43:42 +01:00

README.md

Utilities for working with CONQUEST are located here.

  1. Basis generation code
  2. Process charge density (produce CUBE files from Conquest output)