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Created with Raphaël 2.2.017Mar12987654327Feb262524232120191816108722Jan2126Dec21181716151413628Nov262522201918171514131Oct30292522211817169874317Sep29Apr221615911Mar9876541WiPfeature/structu…feature/structure_readersWIP commit - 20250312_170718Working tadah::mlip workspaceWiPAll?All?New classes with testsSeparation of data gathering from parsingFixed repeated index on forces printing. Enforce all class members to zero.Working AFlowWorking NOMAD sreaderIntegration of --sources into sreader and preditctWIP: Works...Edit .gitlab-ci.ymlmainmainBypassing gemmi testsJson lib use git tagWIP: Structure ReadersWIP: Structure Readersdo not share cache across pipelinesEdit .gitlab-ci.ymlRenaming DatasetWriter to StructreWriterMerge branch 'develop' of https://git.ecdf.ed.ac.uk/tadah/mlip into developdevelopdevelopConsistent (lack of) rescalingWiPhpchpcWiPEdit version.hEdit version.hParser improvementsParser improvementsPossibly... fixed parserPossibly... fixed parserImproved training weightingWiP on weighting factorsconst vol .castep GOSig fig controlwipSig fig controlwipwipBuild update