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  • Alberto Garcia's avatar
    Avoid stopping the program when the solver does not converge. Update documentation. · ba931109
    Alberto Garcia authored
    Rather than stopping the program immediately, we allow the
    density-matrix normalization step to try to recover the correct number
    of electrons. This is non-optimal but can recover from occassional
    instabilities.
    
    Update the manual.
    
    Create Docs/LitCode to hold the .html files produced (manually for now) from
    the .lit files in Src.
    
    added:
      Docs/LitCode/
      Docs/LitCode/README
      Docs/LitCode/pexsi-dos.html
      Docs/LitCode/pexsi-ldos.html
      Docs/LitCode/pexsi-lit.html
      Docs/LitCode/pexsi-solver.html
      Docs/LitCode/redist-spmatrix.html
    renamed:
      Src/redist-spmatrix.org => Src/redist-spmatrix.lit
    modified:
      Docs/siesta.tex
      Src/Makefile
      Src/m_pexsi_driver.F90
      Src/makefile.lit
      Src/pexsi-solver.lit
      Src/redist-spmatrix.lit
    
    ba931109