Infrastructure for Kpoint symmetries#3482
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juerghutter merged 7 commits intocp2k:masterfrom Jun 18, 2024
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juerghutter
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Jun 17, 2024
- Use K290 code to calculate reduced k-point set
- Use K290 to calculate symmetry operations relating k-points
- New code for rotations of basis functions
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This PR introduced several convention violations (missing initializer, GOTOs, implicit save variables). |
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