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Analysis of electronic structure for large systems

Open davidbowler opened this issue 5 years ago • 2 comments

We will enable the analysis of electronic structure from large-scale linear scaling calculations via the Sakurai-Sugiura method. This is likely to have two stages:

  1. Output of matrices for reading by external utility
  2. Integration of SS method into Conquest

We have the output of matrices largely implemented already.

davidbowler avatar Jan 28 '20 14:01 davidbowler