1. Andrew Peterson Avatar Andrew Peterson
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  3. Amp

Issues

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Issues (201–225 of 238)

Title T P Status Votes Assignee Created Updated Actions
#62: v0.5: Seems like parallel processing does not work (at least on CCV)
bug major resolved
#71: Issue that breaks model fitting on multiple cores figured out.
bug major resolved
#35: Where is the loss calculated?
task trivial resolved
#53: Get_energy call should not be in main Amp instance
bug major resolved
#61: import pxssh from pexpect instead
proposal major resolved
#56: Do we need kwargs in descriptor?
enhancement minor resolved
#54: Change "der..." to "...prime"
bug trivial resolved
#45: Extra keyword arguments
bug major resolved
#29: Lines 248-257 of neuralnetworks.py
proposal major resolved
#37: Weird behavior corresponding to parallel comuting
bug major resolved
#13: Improve our git workflow; stable releases
proposal major resolved
#27: 0.4 release?
task major resolved
#42: Amp documentation not updated!
bug major resolved
#36: How to pass energy_tol?
bug major resolved
#31: NeighborlistCalculator
proposal major resolved
#15: calculate_G4 and cutoff functions
bug major resolved
#18: Fix documentation
bug minor resolved
#39: Add bispectrum, zernike to documentation
enhancement major resolved
#40: Scipy factorial
bug 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
#8: Switch from for to while loops
enhancement major resolved
#33: Gaussian G4
bug major resolved
#34: if statement
task trivial resolved
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