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mohanchen
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MD & LAM
mohanchen
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Oct 17, 2026
| double md_tfirst = -1.0; ///< Temperature (in Hartree, 1 Hartree ~ 3E5 K) | ||
| double md_tlast = -1.0; ///< Target temperature | ||
| int md_dumpfreq = 1; ///< The period to dump MD information | ||
| int md_thermo_freq = 1; ///< The period to output MD thermodynamic information |
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we have too many parameters now, we need to try reducing the number of parameters. Could you use 'out_freq_ion' to perform this function instead?
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AGENTS.mdanddocs/developers_guide/agent_governance.md.source/changes.Linked Issue
Fix #
Unit Tests and/or Case Tests for my changes
What's changed?
Governance Notes