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

Issues

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Issues (1–18 of 18)

Title T P Status Votes Assignee Created Updated Actions
#79: Parallelize fingerprint derivatives?
proposal major new 5
#180: An error in specifying fingerprints manually
bug major duplicate
#148: Reminder for me: Check tests pass and pep8, pyflake cleaned-up
proposal major resolved
#144: To turn off forces, force_coefficient=None or force_coefficient=0.?
bug major resolved
#57: Ploynomial cutoff should be added to Fortran modules.
enhancement major resolved
#59: How is train_forces communicated to model / descriptor?
bug major duplicate
#83: symmetry of fingerprint primes
task major resolved
#48: relative imports should be returned back.
enhancement major resolved
#47: Fingerprints_range in v0.4
bug major wontfix
#76: Checkpoints on v0.5
enhancement major resolved
#78: Gaussian fingerprintprimes calculation can be made faster
enhancement major resolved
#94: No checkpoint parameters is saved in v0.5
bug major duplicate
#44: Loss function issues (in parallel)
bug major resolved
#53: Get_energy call should not be in main Amp instance
bug major resolved
#15: calculate_G4 and cutoff functions
bug major resolved
#39: Add bispectrum, zernike to documentation
enhancement major resolved
#40: Scipy factorial
bug major resolved
#3: Feeding variables of different size
bug major resolved