Make calphy work with LAMMPS executables - #270

Merged

srmnitc merged 24 commits into

thermoatoms:only_exec

Jul 20, 2026

Commits on Jul 8, 2026

exec-runner part 0: baseline capture
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76e7c30
exec-runner part 1: decoupling micro-changes
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291b688

Commits on Jul 9, 2026

exec-runner part 2: RecordingRunner + golden command streams
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22251e7

Commits on Jul 14, 2026

exec-runner part 3: ExecutableRunner + SessionState
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deca107
exec-runner part 4: preflight capability check
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864b3bc
exec-runner part 5: wire-in and pylammpsmpi removal
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a48a902
exec-runner part 6: real-LAMMPS integration tests
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0f28ea4
exec-runner part 7: documentation - drive the lmp executable
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53b447a
fix error in error
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72df1f2
output: dissipation in report.yaml + column-legend headers on data files
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b54c04d
docs: output-file reference page + lambda_schedule clarification
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6fbb61e
feat: port range_scan module (prescan phase-transition detection)
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82383dc

Commits on Jul 16, 2026

Commits on Jul 18, 2026

Commits on Jul 19, 2026

phase_diagram: make the TDB round-trip reproduce the calphy diagram in pycalphad
srmnitc
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90a93e3

Commits on Jul 20, 2026

ci: drop LAMMPS from hosted CI; run pip-only "not lammps" lane, remove stale gitlab config
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b20fd0f