Phase 1 MVP #171

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10 / 1210 of 12 issues completed

Open

Phase 1 MVP#171

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mattwthompson

opened on Sep 25, 2026

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1. mattwthompson

   self-assigned this

   on Sep 25, 2026
2. mattwthompson

   added sub-issues on Sep 25, 2026

   • Make example for MVP properties #165
   • Ensure job submission is asynchronous #152
   • Modify EnsembleAverageOp or create a new method that also returns Jacobian #145
   • Add back tensor reporters #174
3. mattwthompson

   added sub-issues on Oct 5, 2026

   • Run fit with Adams optimizer, across SLURM distributed compute, co-optimised with energies and forces #148
   • Document how to manage Parsl-based compute #150
   • Validate smee+descent integration #147
4. mattwthompson

   added this to the MVP milestone on Oct 7, 2026
5. mattwthompson

   added sub-issues on Oct 15, 2026

   • Add MVP data #196
   • Add/update thermo.predict #197
   • Get energy.predict working with new thermo code #198
   • Ensure .backwards works with new thermo code #199
6. mattwthompson

   added a sub-issue on Nov 4, 2026

   • More issues with pressure #213

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