Difference between revisions of "Chemistry"
From GhostBSD Wiki
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|CheMPS2 | |CheMPS2 | ||
|Spin-adapted implementation of DMRG for ab initio quantum chemistry | |Spin-adapted implementation of DMRG for ab initio quantum chemistry | ||
| − | |[[https://svnweb.freebsd.org/ports/head/science/chemps2/pkg-descr?revision=HEAD]] [[https://github.com/SebWouters/CheMPS2]] | + | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/chemps2/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://github.com/SebWouters/CheMPS2]] |
|- | |- | ||
|Jmol | |Jmol | ||
|Java 3D viewer for chemical structures | |Java 3D viewer for chemical structures | ||
| − | |[[https://svnweb.freebsd.org/ports/head/science/jmol/pkg-descr?revision=HEAD]] [[https://sourceforge.net/projects/jmol/]] | + | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/jmol/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://sourceforge.net/projects/jmol/]] |
|- | |- | ||
|MolScript | |MolScript | ||
|Display 3D molecules in schematic and detailed representations | |Display 3D molecules in schematic and detailed representations | ||
| − | |[[https://svnweb.freebsd.org/ports/head/science/molscript/pkg-descr?revision=HEAD]] [[http://avatar.se/molscript/molscript.html]] | + | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/molscript/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=http://avatar.se/molscript/molscript.html]] |
|- | |- | ||
|atom-chemistry | |atom-chemistry | ||
|Program for DFT calculations in atoms | |Program for DFT calculations in atoms | ||
| − | |[[https://svnweb.freebsd.org/ports/head/science/atom/pkg-descr?revision=HEAD]] [[https://departments.icmab.es/leem/siesta/]] | + | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/atom/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://departments.icmab.es/leem/siesta/]] |
|- | |- | ||
|avogadro2 | |avogadro2 | ||
|Chemical editor and visualization application | |Chemical editor and visualization application | ||
| − | |[[https://svnweb.freebsd.org/ports/head/science/avogadro2/pkg-descr?revision=HEAD]] [[https://www.openchemistry.org/projects/avogadro2/]] | + | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/avogadro2/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://www.openchemistry.org/projects/avogadro2/]] |
|- | |- | ||
|avogadrolibs | |avogadrolibs | ||
|Avogadro2 libraries for chemical editor and visualization applications | |Avogadro2 libraries for chemical editor and visualization applications | ||
| − | |[[https://svnweb.freebsd.org/ports/head/science/avogadrolibs/pkg-descr?revision=HEAD]] [[https://www.openchemistry.org/projects/avogadro2/]] | + | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/avogadrolibs/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://www.openchemistry.org/projects/avogadro2/]] |
|- | |- | ||
| − | | | + | |bagel |
| − | |[[]] [[]] | + | |Brilliantly Advanced General Electronic-structure Library |
| + | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/bagel/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://nubakery.org/]] | ||
| + | |- | ||
| + | |bodr | ||
| + | |Chemistry data like element and isotope properties, atomic radii, etc | ||
| + | |[[File:Icon FreeBSD.png|100px|link=https://svnweb.freebsd.org/ports/head/science/bodr/pkg-descr?revision=HEAD]] [[File:1329059652.png|35px|link=https://sourceforge.net/projects/bodr/]] | ||
|- | |- | ||
| | | | ||
Revision as of 12:38, 16 January 2020
Welcome to the Chemistry
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| App/Package | Abstract | Addition or Link |
|---|---|---|
| CheMPS2 | Spin-adapted implementation of DMRG for ab initio quantum chemistry |  
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| Jmol | Java 3D viewer for chemical structures |
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| MolScript | Display 3D molecules in schematic and detailed representations |
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| atom-chemistry | Program for DFT calculations in atoms |
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| avogadro2 | Chemical editor and visualization application |
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| avogadrolibs | Avogadro2 libraries for chemical editor and visualization applications |
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| bagel | Brilliantly Advanced General Electronic-structure Library |
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| bodr | Chemistry data like element and isotope properties, atomic radii, etc |
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| If you don't find a package, you are looking for, we recommend to search the  Ports Collection.
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