- Committer: Alberto Garcia
- Date: 2007-03-19 14:18:58 UTC
- Revision ID: Arch-1:siesta@uam.es--2006%siesta-devel--reference--2.1--patch-50
Add molecular mechanics documentation
Patches applied:
* agarcia@siesta.arch--2006/mulliken--agarcia--0.1--patch-1
Fix tag in MPI send and receive in calculation of overlap
Patches applied:
* agarcia@siesta.arch--2006/mulliken--agarcia--0.1--patch-1
Fix tag in MPI send and receive in calculation of overlap
| Filename | Latest Rev | Last Changed | Committer | Comment | Size | ||
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Contour
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3 | 19 years ago | Alberto Garcia | Siesta 0.11 -- imported from CVS Import from cvs u |
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Contrib
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112 | 18 years ago | Alberto Garcia | Integrated some third-party code by A. Postnikov a |
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Denchar
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3 | 19 years ago | Alberto Garcia | Siesta 0.11 -- imported from CVS Import from cvs u |
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Macroave
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19 | 19 years ago | Alberto Garcia | Siesta 1.2.45 (after parallel PDOS +fixes, pre-1.3 |
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MD
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87 | 18 years ago | Alberto Garcia | New starlink autoconf. CML update. MD scripts. New |
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Optical
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28 | 19 years ago | Alberto Garcia | Siesta 1.4.17 -- after optical props + D&C at Gamm |
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pdosxml
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29 | 19 years ago | Alberto Garcia | Siesta 1.4.20 (misc fixes, pdosxml import) + Impor |
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Plrho
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1 | 19 years ago | Alberto Garcia | initial import (automatically generated log messa |
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PyAtom
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10 | 19 years ago | Alberto Garcia | Siesta-1.0.49 -- after merge of newatom cvs branch |
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Scripting
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180 | 17 years ago | Alberto Garcia | Scripting utilities Util/Scripting contains some p |
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sies2arc
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3 | 19 years ago | Alberto Garcia | Siesta 0.11 -- imported from CVS Import from cvs u |
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SiestaSubroutine
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26 | 19 years ago | Alberto Garcia | Siesta 1.4.9 -- after siesta-as-subroutine + misc |
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VCA
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175 | 17 years ago | Alberto Garcia | Changes to support synthetic atoms (VCA) Support f |
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Vibra
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1 | 19 years ago | Alberto Garcia | initial import (automatically generated log messa |
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COPYRIGHT |
130 | 18 years ago | Alberto Garcia | Stamping of other top-level directories | 466 bytes |
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eig2dos.f |
130 | 18 years ago | Alberto Garcia | Stamping of other top-level directories | 4.5 KB |
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gnubands.f |
130 | 18 years ago | Alberto Garcia | Stamping of other top-level directories | 2.5 KB |
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grid2cube.f |
130 | 18 years ago | Alberto Garcia | Stamping of other top-level directories | 11 KB |
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grid2val.f |
186 | 17 years ago | Alberto Garcia | Add grid function evaluator program New program / | 4.8 KB |
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plstm.f |
130 | 18 years ago | Alberto Garcia | Stamping of other top-level directories | 13.8 KB |
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README |
186 | 17 years ago | Alberto Garcia | Add grid function evaluator program New program / | 2.4 KB |
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readwf.f |
130 | 18 years ago | Alberto Garcia | Stamping of other top-level directories | 4.7 KB |
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vpsa2bin.f |
130 | 18 years ago | Alberto Garcia | Stamping of other top-level directories | 3 KB |
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vpsb2asc.f |
130 | 18 years ago | Alberto Garcia | Stamping of other top-level directories | 3 KB |
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