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

Issues

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Issues (26–50 of 141)

Title T P Status Votes Assignee Created Updated Actions
#214: Need docs, unit tests for KRR
bug major new
#143: Does Amp work with python3?
proposal major resolved
#127: Problems setting basinhopping optimizer
bug major closed
#181: 3 tests failed, last hung on 10th test
bug major closed 1
#171: Check if macOS has a python2 symlink pointing to most up-to-date python2 version
bug major closed
#210: Initial weight for retraining?
task major resolved
#209: How to get the weights in .amp file after training?
task major closed
#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
#198: Coverage of tests
bug major new
#199: Simultaneous validation
enhancement major new
#197: Activate Continuous Integration (CI) in bitbucket
bug major 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
#129: Tests shouldn't conflict / mess up user's directory
proposal major new
#179: make "python2" and "python3"
proposal major resolved
#165: amp-plotconvergence
bug major resolved
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