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feat: support nonorthogonal AMBER cells
#971
Comparing
njzjz-bot:fix/amber-nonorthogonal-cells
(
0163ace
) with
master
(
38e8763
)
CodSpeed Performance Gauge
-1%
Untouched
2
Unknown Walltime execution environment detected
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Benchmarks
Mode
CPU Simulation
Wall Time
Memory
Status
Untouched
2 total
Uses the
Wall Time instrument
to collect wall time performance metrics.
test_cli
benchmark/test_import.py
CodSpeed Performance Gauge
0%
383.9 ms
385.4 ms
Uses the
Wall Time instrument
to collect wall time performance metrics.
test_import
benchmark/test_import.py
CodSpeed Performance Gauge
-1%
11.3 ms
11.4 ms
Commits
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Base
master
38e8763
+2.56%
feat: support nonorthogonal AMBER cells
ae2755a
17 hours ago
by njzjz-bot
-3.21%
fix: validate AMBER cell metadata
0163ace
17 hours ago
by njzjz-bot
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