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Created with Raphaël 2.2.028Nov272625201913121187623Oct22161514119817SepHotfixmainmainWrap up week 7Updated gitignoreMore on cube filesSmall changes and blackedDraft on week 7 with mo viewer and stuffMore finishes to week 6Finish week 6Added methanol structure for rotationAdded xyz files for reform gas reactionIntro on week 6SimplifiedLast update on week 5Put necessary modules in directoryLarge part of week 5 notebook doneMinor changesMinor updatesCleanups in the viewer codeWorking animation with mode vectorsAdded animation optionAdd Trajectory constructor from orca output fileFixed an off-by-one errorAdded a working trajectory viewer on the first try!Added creation script for week 2Added orca to path on the jupyterhubFinalized week 4Small changesAdded picture and removed small questionChange to ORCA for week 2Updated gitignoreFinalized week1Working version with a simple molecule viewerRestsReststmptmpAdded tables and textStart molecule viewer functionalityUpdate gitignoreFirst draft on week 4Update gitignoreMerge branch 'week2' into 'main'