1b68cad480
The filtering used an ancient diagonalization routine of rdiag which forced the use of the overlap matrix, however the implementation always used a diagonal basis in which case there was never a need for S. This plus removal of redundant matrices have been implemented. The dtrsm call has been removed since S was always diagonal. This commit introduces no code changes other than clean-ups. |
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| Docs | ||
| Examples | ||
| Obj | ||
| Pseudo | ||
| Src | ||
| Tests | ||
| Tutorials | ||
| Util | ||
| .bzrignore | ||
| AUTHORS | ||
| COPYING | ||
| NOTICE.txt | ||
| README | ||
| README_TRANSIESTA | ||
| RELEASE_NOTES | ||
| version.info | ||
README
SIESTA (see version.info for the up-to-date version string) www.uam.es/siesta In the Docs/ directory: * Release Notes * Detailed list of Changes to the code. * LaTeX source for the manual (in siesta.tex) The code itself can be found under Src/ Examples and other tutorial material in Tests/, Tutorials/, and Examples/ Utilities under Util/ Pseudopotential-related information can be found under Pseudo/. Please see the manual for compilation and other instructions. For bug reports, and other code suggestions, please follow the guidelines in the file Docs/REPORTING_BUGS