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isayevlab
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Merge pull request #180 from isayevlab/fix/multi-review-findings
Tests
#205:
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Fix multi-review findings: Gibbs ranking, worker-death hang, fp64 energies, FIRE decoupling
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#204:
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Fix multi-review findings: Gibbs ranking, worker-death hang, fp64 energies, FIRE decoupling
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#203:
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#180
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Merge pull request #179 from isayevlab/chore/conda-recipe-3.1.1
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#202:
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conda recipe 3.1.1: drop aimnet, add torchani and ase
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#201:
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Merge pull request #178 from isayevlab/release/3.1.1
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Release 3.1.1
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#199:
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Merge pull request #177 from isayevlab/feat/conda-no-aimnet
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Graceful operation without aimnet (conda-forge groundwork)
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Graceful operation without aimnet (conda-forge groundwork)
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Merge pull request #176 from isayevlab/release/date-fix
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Date 3.1.0 as the day it actually ships
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Merge pull request #175 from isayevlab/fix/publish-action-ref
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#193:
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Pin the PyPI publish action by tag, not by commit SHA
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Merge pull request #174 from isayevlab/release/3.1.0
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Release 3.1.0
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Merge pull request #173 from isayevlab/refactor/layer-layout
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#189:
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Regroup every module into its layer directory
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Regroup every module into its layer directory
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#187:
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Merge pull request #172 from isayevlab/refactor/split-thermo
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#186:
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Split ASE/thermo.py into a package, one module per concern
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#185:
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Merge pull request #171 from isayevlab/refactor/rename-run-summary
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#184:
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Rename the CLI's WorkflowResults to RunSummary
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#183:
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refactor/rename-run-summary
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Merge pull request #170 from isayevlab/refactor/injected-mp-context
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#182:
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Start worker processes from an injected context, not a global
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#181:
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8m 3s
refactor/injected-mp-context
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