stable
v1.7.0
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Last change
on this file was 13e5be, checked in by Frederik Heber <frederik.heber@…>, 4 days ago |
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Set version to 1.7.0.
- MoleCuilder library is now 19:0:0.
- Codename "Seven Years" (because seven years passed since the last
release).
- Added to debian/changelog.
- Adapted k8s and docker files.
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-
Property mode
set to
100644
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File size:
896 bytes
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| 1 | # Project: MoleCuilder
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| 2 | #
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| 3 | # frederik.heber@gmail.com
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| 4 |
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| 5 | MoleCuilder
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| 6 |
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| 7 | ... is a tool that started as a mean to edit pcp configuration files (adding/
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| 8 | removing groups of atoms, measuring bond lengths and so forth), grew forth into
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| 9 | a many-body fragmentation test base of a new method coined BOSSANOVA (Bond
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| 10 | Order diSSection in an ANOVA (ANalysis Of VAriance) - like fashion). It spilled
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| 11 | out configuration files for each fragment and included joining and analyzing
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| 12 | programs, to put together the partial energies and forces of each fragment to
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| 13 | the total energy and forces. Since then it has evolved into a complete toolbox
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| 14 | for creating molecular systems and worlds.
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| 15 |
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| 16 |
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| 17 | INSTALLATION NOTES
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| 18 | ==================
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| 19 |
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| 20 | The following packages are needed
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| 21 | * GCC or alike
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| 22 | * GSL (GNU Scientific Library, available at http://www.gnu.org/software/gsl)
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| 23 | * Boost 1.69 or newer
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| 24 | * PugiXML (is provided in src/Parser/pugixml)
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