Difference between revisions of "QMCChem"
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The QMC=Chem input file can be created using the [{{SERVER}}/qmcchem_input.py web interface]. Upload a Q5Cost file or an output file from GAMESS, Gaussian or Molpro, and you will download the QMC=Chem input directory. | The QMC=Chem input file can be created using the [{{SERVER}}/qmcchem_input.py web interface]. Upload a Q5Cost file or an output file from GAMESS, Gaussian or Molpro, and you will download the QMC=Chem input directory. | ||
| − | == | + | == Papers related to the QMC=Chem code == |
| − | [ | + | * [Large-scale quantum Monte Carlo electronic structure calculations on the EGEE grid] |
Revision as of 09:15, 9 March 2010
QMC=Chem is a massively parallel QMC code.
Input file creation
The QMC=Chem input file can be created using the web interface. Upload a Q5Cost file or an output file from GAMESS, Gaussian or Molpro, and you will download the QMC=Chem input directory.
- [Large-scale quantum Monte Carlo electronic structure calculations on the EGEE grid]
