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Environ v3.1

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@olivieroandreussi olivieroandreussi released this 21 Jun 21:19
· 1 commit to master since this release
e5af4e4

New in version 3.1:

  • fix memory bug in soft-sphere interface, crashing for large systems
  • improved interface (getters) for coupling with FHI-aims
  • add possibility to use Environ with grand canonical (constant potential) simulations from QE 7.2
  • simplified configure and installation

Problems fixed in version 3.1:

  • fix bug in coupling lgcscf with Environ
  • fix bug in double-cell mapping

Incompatible changes in version 3.1: