This page lists LAMMPS performance on several benchmark problems, runon various machines, both in serial and parallel and on GPUs. Notethat input and sample output files for many of these benchmark testsare provided in the bench directory of the LAMMPS distribution. Seethe bench/README file for details.
Meanwhile, modern TEMs are uniquely positioned to enable fully automated experiments. Recently, inspired by the serial crystallography method employed at large scale facilities (Chapman et al., 2011; Stellato et al., 2014), we developed serial electron diffraction (SerialED) (Smeets et al., 2018b) and the software Instamatic (Smeets et al., 2018a) using Python (Python Software Foundation, ) as an alternative method of collecting ED data. The SerialED method combines computer-controlled stage translation with beam shift to automatically collect diffraction data on a large number of crystals. We previously explored the use of SerialED data in the context of structure determination (Smeets et al., 2018b) and quantitative phase analysis (Smeets et al., 2019). However, indexing a randomly oriented diffraction pattern in SerialED data has been challenging, because it is difficult to accurately determine the crystal orientation. On the other hand, it is straightforward to determine the unit cell and index reflections using cRED data. It followed naturally to combine SerialED with cRED to realize automated data collection and direct data reduction using the well established software for X-ray crystallography.
x particles 2.59 serial 33
A typical SerialRED data collection on a JEOL JEM2100 microscope can screen ca 500 particles per hour, among which cRED data are collected from suitable crystals. The full details of the experimental implementation can be found in the supporting information and examples are given in Section 4. 2ff7e9595c
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