exalearn / fast-finetuned-forcefields / 5337977586

Builds Branch Commit Type Ran Committer Via Coverage
5337977586 tamm_init Made training script more flexible So that I can re-use for finetuning for MP2 push WardLT github pending completion   set done
5273220964 tamm_init Add missing test file push WardLT github pending completion   set done
5244345995 tamm_init Simplify the input file push WardLT github pending completion   set done
5225093240 tamm_init Got my unit conversion backwards :lol: push WardLT github pending completion   set done
5225258945 tamm_init Restore better cutoffs push WardLT github pending completion   set done
5224711528 tamm_init Add template file push WardLT github pending completion   set done
5224705251 tamm_init Stub for TAMM benchmarking push WardLT github pending completion   set done
5224607319 tamm_init Change TAMMs units to Ha push WardLT github pending completion   set done
5223883991 tamm_init Reorganize the run directories push WardLT github pending completion   set done
5223758727 main Add ASE calculator interface for TAMM (#33) * Add ASE calculator interface for TAMM * Add the tamm module * Test all available levels * Ignore error messages in coverage push web-flow github pending completion   set done
5223666979 tamm_ase Ignore error messages in coverage push WardLT github pending completion   set done
5223647450 tamm_ase Test all available levels push WardLT github pending completion   set done
5223527188 tamm_ase Add the tamm module push WardLT github pending completion   set done
5222812047 main Explore finetuning from TTM to DFT (#32) * Add notebook for finetuning better TTM model * Allow both DFT and TTM for sampling * Allow offloading DFT to HPC via Globus Compute * Add support for MD as sampling method * Store the momenta... push web-flow github pending completion   set done
5222701055 finetune Update screening notebooks push WardLT github pending completion   set done