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njzjz / deepmd-gnn

DeePMD-kit plugin for various graph neural network models
GNU Lesser General Public License v3.0
21 stars 3 forks source link

fix: test models and fix several issues #6

Closed njzjz closed 3 months ago

njzjz commented 3 months ago

Fix virial calculation; fix models using float64.

Signed-off-by: Jinzhe Zeng jinzhe.zeng@rutgers.edu

pep8speaks commented 3 months ago

Hello @njzjz! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 668:80: E501 line too long (84 > 79 characters)

Line 86:80: E501 line too long (87 > 79 characters) Line 189:80: E501 line too long (80 > 79 characters) Line 205:80: E501 line too long (84 > 79 characters) Line 222:80: E501 line too long (84 > 79 characters) Line 748:80: E501 line too long (86 > 79 characters) Line 985:80: E501 line too long (82 > 79 characters) Line 992:80: E501 line too long (88 > 79 characters) Line 996:80: E501 line too long (81 > 79 characters) Line 999:80: E501 line too long (85 > 79 characters)

Comment last updated at 2024-08-23 05:12:38 UTC