ToDoList- Tools need to be consolidated and cleaned up.
- Pseudopotentials
- Wavefunction converters
- Fine-grained parallelism
- 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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ď Jeongnim Kim, Oct 3, 2010 1:43 PM
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