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fix: Support CP2K 2025 output format for energy and forces (fixes #850)
#978
Merged
Comparing
newtontech:fix-cp2k-2025-format-v2
(
62a3892
) with
master
(
1b63c9b
)
CodSpeed Performance Gauge
0%
Untouched
2
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Untouched
2 total
Uses the
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test_import
benchmark/test_import.py
CodSpeed Performance Gauge
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12.1 ms
12.1 ms
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test_cli
benchmark/test_import.py
CodSpeed Performance Gauge
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373.7 ms
373.8 ms
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Base
master
1b63c9b
+0.02%
fix(cp2k): address review comments for CP2K 2025 format support
62a3892
4 months ago
by newtontech
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