does not affect a boulder System size de nition The spinning of the Earth does not invalidate cartesian trajectories for small objects on earth Magnitude can split objects Nucleons are larger than electrons 6
a sense …. many things happen Quickly becomes unfeasible for larger quantities Density Functional Theory Considers only the density of electrons TWIN APPROACHES TO CHEMICAL SYSTEMS [kohnNobelLectureElectronic1999a] 8
automated Integrates with SLURM by jobscript generation Flexible and provides graphing utilities and units Lets us focus on the questions SOME FEATURES linDat = waio.orca.genEBASet(Path("bui linDat["deviation"] = esr.magnitude - linDat["perc_error"] = ( linDat.deviation / linDat.angle.ap ) 13
these is computationally intensive Important for catalysis Slow implementation in MATLAB Being reworked in C++ with SURFSara, NL Part of REAXPRO SCALING GPR-NEB 18