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Fix: force and stress calculation with noncollinear-spin or SOC for PW code #5377
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… into pw_soc_force
mohanchen
approved these changes
Oct 31, 2024
dzzz2001
approved these changes
Oct 31, 2024
dzzz2001
approved these changes
Oct 31, 2024
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Fisherd99
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Mar 31, 2025
…W code (deepmodeling#5377) * Fix: noncollinear-spin force and stress with PW * Fix: bug of pw force&stress calculation * fix: soc error and cuda kernels * Fix: CUDA and ROCM * [pre-commit.ci lite] apply automatic fixes * Fix: nspin=4 error on DCU/GPU * Refactor: format and less parameters for nonlocal fs kernels * Test: add force and stress test for noncollinear-spin and soc --------- Co-authored-by: dyzheng <[email protected]> Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
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Linked Issue
Fix #4895 #4890
Unit Tests and/or Case Tests for my changes
What's changed?
Any changes of core modules? (ignore if not applicable)