[WIP] Feat/add tddft test #315
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puzhichen
commented
Jan 23, 2025
puzhichen
commented
- adding example 26 for tddft
- adding benchmark test for small and medium molecules for TDDFT calculations.
- Now, waiting the benchmark TDDFT calculation finished.
wxj6000
reviewed
Jan 23, 2025
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| # How to run | ||
| # 1. run test only | ||
| # pytest test_benchmark_rks.py --benchmark-disable -s -v -m "not slow" --durations=20 |
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- Change the instruction accordingly.
- Prepare the benchmark result for comparison. See (4) for saving the result on v100.
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Get! This file is WIP. Benchmark tests is still running, after that, this file will change accordingly.
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