- Committer: Alberto Garcia
- Date: 2016-09-28 07:49:18 UTC
- mfrom: (458.2.24 trunk)
- Revision ID: albertog@icmab.es-20160928074918-tkseebm14glvps7j
Implementation of Real-Time TDDFT
This implementation of Real-Time Time-Dependent Density Functional
Theory (RT-TDDFT) is based on an earlier one (serial only) by Daniel
Sanchez-Portal (ca. 2000-01) which had never been formally merged into
Siesta.
It currently only works for gamma-point calculations.
Please see the manual for options, and the file
Docs/branch-changes/NOTES.tddft for a technical overview.
(Rafi Ullah, based on work by Daniel Sanchez-Portal)
This implementation of Real-Time Time-Dependent Density Functional
Theory (RT-TDDFT) is based on an earlier one (serial only) by Daniel
Sanchez-Portal (ca. 2000-01) which had never been formally merged into
Siesta.
It currently only works for gamma-point calculations.
Please see the manual for options, and the file
Docs/branch-changes/NOTES.tddft for a technical overview.
(Rafi Ullah, based on work by Daniel Sanchez-Portal)
| Filename | Latest Rev | Last Changed | Committer | Comment | Size | ||
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Docs
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1 | 19 years ago | Alberto Garcia | initial import (automatically generated log messa |
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Examples
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1 | 19 years ago | Alberto Garcia | initial import (automatically generated log messa |
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Obj
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361.1.4 | 13 years ago | Jose M Soler | Restored Obj directory |
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Pseudo
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1 | 19 years ago | Alberto Garcia | initial import (automatically generated log messa |
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Src
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1 | 19 years ago | Alberto Garcia | initial import (automatically generated log messa |
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Tests
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124 | 18 years ago | Alberto Garcia | Re-organization of Tutorials and Tests Updated |
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Tutorials
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16 | 19 years ago | Alberto Garcia | Siesta-1.2.15 (changes for School, non-coll gga, s |
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Util
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1 | 19 years ago | Alberto Garcia | initial import (automatically generated log messa |
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.bzrignore |
391.1.769 | 8 years ago | Nick Papior | Merged in trunk 508 (SOC) | 11 bytes |
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AUTHORS |
483.2.1 | 8 years ago | Alberto Garcia | Prepare GPL release * Include proper headers * A | 80 bytes |
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COPYING |
483.2.1 | 8 years ago | Alberto Garcia | Prepare GPL release * Include proper headers * A | 34.2 KB |
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NOTICE.txt |
453.1.5 | 8 years ago | Alberto Garcia | Sync with trunk-503 Update NOTICE.txt to include | 1.6 KB |
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README |
483.3.14 | 8 years ago | Alberto Garcia | Release of siesta-4.0 * Update Docs/release_notes | 583 bytes |
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README_TRANSIESTA |
295.1.2 | 15 years ago | Alberto Garcia | TS manual and updates. Building rationalization. H | 95 bytes |
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RELEASE_NOTES |
563 | 8 years ago | Nick Papior | Merged in 4.1 Merged 4.1-b1 release into trunk to | 357 bytes |
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version.info |
569 | 8 years ago | Alberto Garcia | Implementation of Real-Time TDDFT This implementa | 10 bytes |
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