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New Release - CPMD v4.3

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A new release of CPMD (v4.3) is now available on line.

We have the pleasure to announce the release of CPMD v 4.3.

 

Release 4.3 is the new version made available after almost two years from the last public release (4.1).

 

We have been extensively working on the software refactoring and also on improving and extending CPMD with new functionalities.

More in details:

  1. Some procedures were ported to gpu
  2. Refactoring of the XC procedures (added the possibility to link to libxc)
  3. New development for Eherenfest dynamics with ionized states
  4. Implemented a multiple time step scheme for MD 
  5. Implemented stress tensor LSD and UltraSoft Vanderbilt pseudopotentials and NPT
  6. New bicanonical ensemble method
  7. Extensive bug fix and strengthen of the regression test suite

 

 

You can download the new release of CPMD (v4.3) from cpmd.org.

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