1. Andrew Peterson Avatar Andrew Peterson
  2. Untitled project
  3. Amp

Issues

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Issues (26–44 of 44)

Title T P Status Votes Assignee Created Updated Actions
#77: Open sessions in threaded mode
enhancement minor resolved
#23: elements keyword in the descriptor initialization
enhancement minor resolved
#28: image-centered mode inside get_atomic_energy?
proposal minor resolved
#71: Issue that breaks model fitting on multiple cores figured out.
bug major resolved
#35: Where is the loss calculated?
task trivial resolved
#56: Do we need kwargs in descriptor?
enhancement minor resolved
#29: Lines 248-257 of neuralnetworks.py
proposal major resolved
#37: Weird behavior corresponding to parallel comuting
bug major resolved
#42: Amp documentation not updated!
bug major resolved
#36: How to pass energy_tol?
bug major resolved
#31: NeighborlistCalculator
proposal major resolved
#32: Cutoff function can move to utilities or somewhere
proposal major resolved
#41: opening .amp files?
bug major resolved
#38: ConvergenceOccurred?
bug major resolved
#33: Gaussian G4
bug major resolved
#34: if statement
task trivial resolved
#16: Changing the name of Behler class?
proposal minor resolved
#24: Logging cutoff in the descriptor
enhancement minor resolved
#2: Folder Names
enhancement minor resolved
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