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

Issues

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Issues (51–75 of 238)

Title T P Status Votes Assignee Created Updated Actions
#206: Add option to train to cohesive energies instead of total energies
enhancement minor new
#203: shifted gaussian descriptors?
enhancement minor new
#174: Python3
bug major resolved
#192: How to handle memory?
bug major new
#79: Parallelize fingerprint derivatives?
proposal major new 5
#201: Training force with frozen atoms?
enhancement major resolved
#185: one trivial step missing in the installation
enhancement trivial resolved
#198: Coverage of tests
bug major new
#199: Simultaneous validation
enhancement major new
#170: self.W
enhancement minor closed
#197: Activate Continuous Integration (CI) in bitbucket
bug major resolved
#187: parallelization in analysis.py
proposal minor resolved
#189: Stress tensor
proposal major duplicate
#186: Parallelize in 'predict' calculation
proposal major duplicate
#98: Databases accessed by multiple processes
proposal major new
#194: Scipy optimizers standarization
bug major new
#180: An error in specifying fingerprints manually
bug major duplicate
#156: two tests failing
bug major resolved
#69: Check initial weights / scalings
bug major resolved
#26: Neighborlist database is huge, option not to save DB
proposal major duplicate
#126: Fix Amp tests for tensorflow
bug minor new
#129: Tests shouldn't conflict / mess up user's directory
proposal major new
#179: make "python2" and "python3"
proposal major resolved
#168: make_filename
bug minor resolved
#165: amp-plotconvergence
bug major resolved
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