cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding

GNU General Public License v3.0

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Fix tensile test #96

Closed chrisjonesBSU closed 2 years ago

chrisjonesBSU commented 2 years ago

Previously, the fixed particle groups were scaled with box updates, but they should be shifted. This PR updates the fixed group particles based on the difference in the simulation box along the pulling axis from the last update.

chrisjonesBSU commented 2 years ago

Fixes #93

codecov[bot] commented 2 years ago

Codecov Report

Merging #96 (5dd1ad1) into master (59b25a6) will decrease coverage by 1.22%. The diff coverage is 35.71%.

@@            Coverage Diff             @@
##           master      #96      +/-   ##
==========================================
- Coverage   93.36%   92.14%   -1.23%     
==========================================
  Files           7        7              
  Lines         739      751      +12     
==========================================
+ Hits          690      692       +2     
- Misses         49       59      +10

Impacted Files	Coverage Δ
polybinder/simulate.py	`86.60% <35.71%> (-2.86%)`	:arrow_down: