- Committer: Vladimir Dikan
- Date: 2019-09-28 17:49:12 UTC
- Revision ID: vdikan@icmab.es-20190928174912-6poi1ogn8vllq8g1
rearrange virtual step data & subroutines
In order to resolve circular imports, virtual_step_md is split into
modules for interstitial system data storage and procedures.
Trivial subriutins for saving/restoring parameters of system in
question between Base and Virtual steps (forces, positions,
velocities) are moved out of m_virtual_step_procs and put under siesta
program contains-statement for clarity.
In order to resolve circular imports, virtual_step_md is split into
modules for interstitial system data storage and procedures.
Trivial subriutins for saving/restoring parameters of system in
question between Base and Virtual steps (forces, positions,
velocities) are moved out of m_virtual_step_procs and put under siesta
program contains-statement for clarity.
| 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 |
700.1.17 | 5 years ago | Vladimir Dikan | "sugar: allow regex on ignored *TAGS file, FORTAGS | 29 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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ford-dev-graphs.md |
700.1.7 | 5 years ago | Vladimir Dikan | Comments in modules around dhscf | 1.4 KB |
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ford-dev.md |
700.1.7 | 5 years ago | Vladimir Dikan | Comments in modules around dhscf | 1.4 KB |
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ford-siesta.md |
700.1.7 | 5 years ago | Vladimir Dikan | Comments in modules around dhscf | 1.5 KB |
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generate-ford.py |
700.1.10 | 5 years ago | Vladimir Dikan | more comments around dhscf | 1.4 KB |
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NOTICE.txt |
560.5.1 | 7 years ago | Nick Papior | Bug fixed for long buffer writes in wxml - Someti | 1.5 KB |
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push-ford-pages.sh |
700.1.6 | 5 years ago | Vladimir Dikan | cherry-pick: switched to official ford 6.0.0 | 74 bytes |
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README |
483.3.14 | 7 years ago | Alberto Garcia | Release of siesta-4.0 * Update Docs/release_notes | 583 bytes |
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README_CHESS |
596.2.4 | 7 years ago | Stephan Mohr | small corrections following Nick's and Alberto's s | 845 bytes |
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README_TRANSIESTA |
295.1.2 | 14 years ago | Alberto Garcia | TS manual and updates. Building rationalization. H | 95 bytes |
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RELEASE_NOTES |
761 | 5 years ago | Nick Papior | Merged r1067, merged faster bloch expansion for TS | 10.6 KB |
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version.info |
700.1.36 | 4 years ago | Vladimir Dikan | merge trunk-thtr into edens The straight-forward | 18 bytes |
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