Difference between revisions of "QMCChem"

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QMC=Chem is a massively parallel QMC code.
 
QMC=Chem is a massively parallel QMC code.
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== Input file creation ==
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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.
  
 
== Code execution ==
 
== Code execution ==
  
 
[[Image:QmcChem_Execution.png]]
 
[[Image:QmcChem_Execution.png]]

Revision as of 19:02, 21 January 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.

Code execution

QmcChem Execution.png