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Committer:
Alberto Garcia
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Date:
2015-11-05 13:08:52 UTC
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mto:
This revision was merged to the branch mainline in
revision
538.
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Revision ID:
albertog@icmab.es-20151105130852-akm5pz95hd73xe4m
Avoid stopping the program when the solver does not converge. Update documentation.
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