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* [[ABINIT]] | * [[ABINIT]] | ||
* [[ADF]] | * [[ADF]]/[[AMS]] | ||
* [[AMBER]] | * [[AMBER]] | ||
* [ | * [[CP2K]] | ||
* [ | * [[CPMD]] | ||
* [[Dalton]] | |||
* [http://www.demon-software.com/public_html/program.html deMon] | * [http://www.demon-software.com/public_html/program.html deMon] | ||
* [ | * [[DL_POLY]] | ||
* [ | * [[GAMESS-US]] | ||
* [[Gaussian]] | * [[Gaussian]] | ||
* [[GPAW]] | |||
* [[GROMACS]] | * [[GROMACS]] | ||
* [http:// | * [http://glotzerlab.engin.umich.edu/hoomd-blue/ HOOMD-blue] | ||
* [[LAMMPS]] | |||
* [[MRCC]] | |||
* [[NAMD]] | * [[NAMD]] | ||
* [https://nbo7.chem.wisc.edu/ NBO] is included in several of our [[Gaussian#Notes|Gaussian]] modules. | |||
* [http://www.nwchem-sw.org NWChem] | * [http://www.nwchem-sw.org NWChem] | ||
* [https://openkim.org/ OpenKIM] | * [https://openkim.org/ OpenKIM] | ||
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* [http://departments.icmab.es/leem/siesta SIESTA] | * [http://departments.icmab.es/leem/siesta SIESTA] | ||
* [[VASP]] | * [[VASP]] | ||
* [https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/xtb XTB (Extended Tight Binding)] |