fix InvalidArgumentError caused by zero sel and optimize zero matrix#900
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amcadmus merged 3 commits intodeepmodeling:develfrom Jul 31, 2021
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fix InvalidArgumentError caused by zero sel and optimize zero matrix#900amcadmus merged 3 commits intodeepmodeling:develfrom
InvalidArgumentError caused by zero sel and optimize zero matrix#900amcadmus merged 3 commits intodeepmodeling:develfrom
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Fix deepmodeling#899. See comments in the code for details.
Codecov Report
@@ Coverage Diff @@
## devel #900 +/- ##
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+ Coverage 73.86% 82.15% +8.28%
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Files 85 118 +33
Lines 6808 10001 +3193
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+ Hits 5029 8216 +3187
- Misses 1779 1785 +6
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InvalidArgumentError caused by zero selInvalidArgumentError caused by zero sel and optimize zero matrix
amcadmus
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…rix (deepmodeling#900) * fix `InvalidArgumentError` caused by zero `sel` Fix deepmodeling#899. See comments in the code for details. * directly return zero matrix for exclude_types * also optimize for se_r
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Fix #899. See comments in the code for details.
Also optimize to directly return zero matrix for exclude_types. As everything is zero, calculate something like zero times a number is meaningless.