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Merge pull request #278 from keyurrmaniya/fix-composition-scaling-report
calphy testing
#549:
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fix: report correct elements and concentrations in composition_scaling
calphy testing
#548:
Pull request
#278
opened by
keyurrmaniya
3m 48s
keyurrmaniya:fix-composition-scaling-report
keyurrmaniya:fix-composition-scaling-report
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Merge pull request #275 from ICAMS/fix-melt-detection-and-pressure-co…
calphy testing
#547:
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Fix melt detection and pressure convergence
calphy testing
#546:
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3m 47s
fix-melt-detection-and-pressure-convergence
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Merge pull request #273 from ICAMS/fix/exec-runner-live-dump-append
calphy testing
#545:
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exec runner: carry live dumps across segment boundaries in append mode
calphy testing
#544:
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srmnitc
3m 42s
fix/exec-runner-live-dump-append
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Merge pull request #272 from ICAMS/pipeline-equil-frames
calphy testing
#543:
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Pipeline equil frames
calphy testing
#542:
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3m 32s
pipeline-equil-frames
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Merge pull request #271 from prabhath-c/gather_results
calphy testing
#541:
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Add energy-diff and dissipation columns to gather_results
calphy testing
#540:
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4m 0s
prabhath-c:gather_results
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Bump version to 2.0.0
calphy testing
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Merge pull request #269 from Andrew-S-Rosen/patch-3
calphy testing
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docs: sync input keyword table with documented keys
calphy testing
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Merge pull request #270 from thermoatoms/only_exec
calphy testing
#536:
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Make calphy work with LAMMPS executables
calphy testing
#535:
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thermoatoms:only_exec
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Make calphy work with LAMMPS executables
calphy testing
#534:
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4m 35s
thermoatoms:only_exec
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Add gres and account fields to scheduler configuration
calphy testing
#533:
Pull request
#269
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2m 18s
Andrew-S-Rosen:patch-3
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Merge pull request #265 from ICAMS/fix-262-remove-box-command
calphy testing
#532:
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remove box
calphy testing
#531:
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4m 31s
fix-262-remove-box-command
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Merge pull request #263 from Andrew-S-Rosen/patch-1
calphy testing
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[WIP] Add support for LAMMPS mliappy
calphy testing
#529:
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[WIP] Add support for LAMMPS mliappy
calphy testing
#528:
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Andrew-S-Rosen:patch-1
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[WIP] Add support for LAMMPS mliappy
calphy testing
#527:
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[WIP] Add support for LAMMPS mliappy
calphy testing
#526:
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55s
Andrew-S-Rosen:patch-1
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[WIP] Add support for LAMMPS mliappy
calphy testing
#525:
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Andrew-S-Rosen:patch-1
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