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Developers' forum

ToDoList

  • Tools need to be consolidated and cleaned up.
    • Pseudopotentials
    • Wavefunction converters
  • Fine-grained parallelism
    • Intel TBB
    • OpenMP Task
  • Mixed precision

Migrated from old wiki

Bugs and Feature Requests and Gotcha's

  • When you create a ParticleSet, you need to give it a (unique) name. Otherwise it doesn't sync up correctly with it's distance table.
  • You can't call ratio unless you've called MakeMove on your particle to make a move
  • You can't call AcceptMove or RejectMove unless you've called MakeMove. (well you can but does incorrect things)
  • Each wave-function and Hamiltonian must have a unique particle set associated with it.  ??
  • GetPhase() does not work when you've done a MakeMove but haven't accepted or rejected yet


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Jeongnim Kim,
Oct 3, 2010 1:43 PM