Remember the path of last login
create ~/.bash_logout
with the following contents:
1 2 | t=`readlink -f \`pwd\`` ln -sfn $t ~/lastdir |
Continue reading ‘Remember the path of last login’ »
Molecular modeling in Materials Sciences Web development Programming IT
create ~/.bash_logout
with the following contents:
1 2 | t=`readlink -f \`pwd\`` ln -sfn $t ~/lastdir |
Continue reading ‘Remember the path of last login’ »
FENE(finitely extensible nonlinear elastic)势函数可以用来描述分子成键相互作用。它的主要特点是最大键长只能有限值,这是和harmonic成键函数的主要不同之处。文献中有两个常用的版本:
Continue reading ‘FENE势函数的函数图像和不同版本’ »
The Ubuntu CD contents look like these:
There is an executable named “wubi.exe”, which allows you installing Ubuntu alongside with an existing Windows system (dual-boot). However, many people experienced “no response” problem after double clicking the wubi.exe. Some say this is because some of your drives contains non-English labels. However, this is not always the case. On my Windows I have all drives with English names, but I couldn’t get wubi.exe run.
Continue reading ‘Ubuntu wubi.exe installation’ »
VPython到底能不能显示中文字符?能显示哪些中文字体?下面的code给出答案。
The key steps
1. Create a folder named “~/python-packages”, then create a path “~/python-packages/lib/python2.6/site-packages/” with
1 | mkdir -p python-packages/lib/python2.6/site-packages/ |
The above path containing the version number of Python should be adjust accordingly base on the actual Python version you are using.
This step sets up a directory structure that is needed by python modules.
Continue reading ‘Install Python modules as non-root user on HPC cluster’ »
To create more than one window in a gnuplot script could be necessary if you have many data series to plot. The following code snippet shows how:
1 2 3 4 5 6 7 8 |
The essential point here is to use twice(or more times) “set term” commands with different window ID.
1. Gromacs有一个工具g_density可以分析各个方向上原子的数密度和电子密度。
2. VMD有一个第三方插件VMD Density Profile Tool,可以根据原子类型分析密度分布。
3. LAMMPS的Pizza工具包有一个脚本density.py也可完成类似工作。
可根据需要选取。
后知后觉的我有了一个新发现,Gmail用户名中的小数点可以省略,也可以随意添加。参见:这里 Continue reading ‘Gmail用户名中的“.”是可以省略的’ »
Unreal Commander is one of the best file manager software which is free of charge. When you want to synchronize two directories with considering only the specified file types, you will need to define filter string. “*.*” means to compare all files; “*.txt” means to compare also the text file. However, how can you compare any file except for “*.exe”?
Easy! Just add a “|” before the file types you want to exclude as show in the following picture.
Continue reading ‘Excluding syntax for folder synchronization in Unreal Commander’ »
To select a toolkit for GUI programming is something like to select a bottle of wine. Only you know your favorites. Here are mine.