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Support for ABINIT and Quantum Espresso Log Out | Topics | Search
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WebMO Support Forum » Feature Requests » Support for ABINIT and Quantum Espresso « Previous Next »

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Unregistered guest
Posted on Sunday, February 15, 2009 - 4:51 am:   

Dear staff,

Nice improvements have been made since I last checked this software. Is there a plan to make this software support ABINIT or Quantum-Espresso ?

Btw, as to discussion prior to this one, it would be great to also add support for either GROMACS or NAMD..
JR Schmidt
Username: Schmidt

Post Number: 78
Registered: 11-2006
Posted on Sunday, February 15, 2009 - 10:27 am:   

The former two packages are under consideration, but it would take some work to make the builder compatible for building periodic systems.

As for GROMACS/NAMD, MD is such a different paradigm that I don't know if the current interface would be too useful!

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