Add example for constructing flexible water models #543
PicoCentauriAnnotations
21 errors and 5 warnings
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generate-example (water-model)
Process completed with exit code 1.
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generate-example (heat-capacity)
The job was canceled because "water-model" failed.
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generate-example (heat-capacity)
The operation was canceled.
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generate-example (thermostats)
The job was canceled because "water-model" failed.
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generate-example (thermostats)
The operation was canceled.
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generate-example (roy-gch)
The job was canceled because "water-model" failed.
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generate-example (roy-gch)
The operation was canceled.
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generate-example (lpr)
The job was canceled because "water-model" failed.
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generate-example (lpr)
The operation was canceled.
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generate-example (pi-mts-rpc)
The job was canceled because "water-model" failed.
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generate-example (pi-mts-rpc)
The operation was canceled.
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generate-example (gaas-map)
The job was canceled because "water-model" failed.
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generate-example (dos-align)
The job was canceled because "water-model" failed.
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generate-example (gaas-map)
The operation was canceled.
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generate-example (dos-align)
The operation was canceled.
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generate-example (periodic-hamiltonian)
The job was canceled because "water-model" failed.
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generate-example (periodic-hamiltonian)
The operation was canceled.
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generate-example (lode-linear)
The job was canceled because "water-model" failed.
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generate-example (lode-linear)
The operation was canceled.
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generate-example (pi-metad)
The job was canceled because "water-model" failed.
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generate-example (pi-metad)
The operation was canceled.
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setup
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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generate-example (batch-cp2k)
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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generate-example (path-integrals)
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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generate-example (sample-selection)
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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generate-example (water-model)
ubuntu-latest pipelines will use ubuntu-24.04 soon. For more details, see https://github.com/actions/runner-images/issues/10636
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Artifacts
Produced during runtime
| Name | Size | |
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example-batch-cp2k
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64.7 KB |
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example-path-integrals
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940 KB |
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example-sample-selection
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1.01 MB |
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