Fix: Fix the Ewald force and stress when atom number of some elements are zero. #5721
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mohanchen merged 4 commits intodeepmodeling:developfrom Dec 12, 2024
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Fix: Fix the Ewald force and stress when atom number of some elements are zero. #5721mohanchen merged 4 commits intodeepmodeling:developfrom
mohanchen merged 4 commits intodeepmodeling:developfrom
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mohanchen
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… are zero. (deepmodeling#5721) * Fix: Fix the Ewald force when atom number is zero. * Fix: Fix the Ewald stress when atom number is zero. * Test: Add an integrate test 123_PW_zero_atom
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Reminder
Linked Issue
Fix #5672
Unit Tests and/or Case Tests for my changes
What's changed?
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Warning: atom number is 0 for atom type: Al
If you are confident that this is not a mistake, please ignore this warning.
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Any changes of core modules? (ignore if not applicable)