© 2024 The Author. Published by American Chemical Society This publication is licensed under a Creative Commons Attribution 4.0 International License. J. Phys. Chem ...
This Masterclass is an introduction to the use of the environment similarity CV available in PLUMED to the calculation of liquid-solid free energy differences (chemical potentials). We assume that the ...
MaterialsStudio中的Amorphous Cell模块默认只能使用单核运行。在这个视频中我使用AC模块的Perl脚本，通过MS自带的Perl编译器多核并行AC模块的Perl脚本从而大大提高了AC模块的计算速度。经过测试，在勾 ...
gnuplot是一个命令行的交互式绘图工具。用户通过输入命令，可以逐步设置或修改绘图环境，并以图形描述数据或函数，使我们可以借由图形做更进一步的分析。 gnuplot是由Colin Kelly和Thomas Williams ...
对于用惯Windows]的人, 在Linux下画图有点不方便, gnuplot虽然挺不错, 但是不能直接在图上进行操作, 这是它的不足吧. 为此, 简单介绍一下xmgrace. Linux下xmgrace可以直接用命令sudo apt-get install xmgrace来 ...
Tutorial to use UserLAnd on Android smartphone or tablet to run different Linux apps or operating systems such as Ubuntu, Debian, Arch; in apps like GIMP, Mozilla Firefox, Git, Python Idle, Gimp, ...
Welcome to the 2025 Computational Physics Summer Tutorials! This five-week course will cover the basics of scientific computing, including the Python programming language. While everyone is welcome to ...
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