神探玺洛克的厨房

如果有天堂，一定是一半厨房，一半书房，然后在书房里还有一张床。

Nice cook, nice book, nice food, nice mood. One bed, no bad

------XiLock

SOME WORKS IS LIKE A FROG, YOU WON'T WANT TO EAT IT AS IT'S DISGUSTING.

THE BIGGEST TROUBLE IS SOLVED ONCE YOU EAT IT IN THE MORNING.

IF IT'S YOUR JOB TO EAT TWO FROGS, EAT THE BIGGEST ONE FIRST.

2020-每周补脑6th

语录 My father used to say, whatever you do, do it a hundred percent.无论做什么都要做到极致。 A person who searches for the truth.Willing to search for new ideas, people, and places. Everyone of us has a st...

Posted by XiLock on October 15, 2020

LAMMPS loop循环·if条件

loop循环注意，用jump时，提交任务一定要用lmp -in input而非lmp < input，否则jump时找不到label！代码示例有时候需要在input里做循环，以升温为例，其循环部分代码如下： variable mytemp index 500.0 700.0 900.0 1100.0 1300.0 1500.0 1700.0 1900.0 2100.0 2300...

Posted by XiLock on October 14, 2020

LAMMPS初始化密度

fix deformcommand是用来改变体系形状从而模拟非平衡动力学的，它可以通过多种方法产生非平衡行为。但也可以用它来设置体系的密度（数密度）命令格式如下： fix 1 all deform 1000 x final -50.0 50.0 y final -50.0 50.0 z final -50.0 50.0 units box 改变系统的体积就可以改变系统的密度，使用f...

Posted by XiLock on October 14, 2020

Knowledge 表面/界面科学

Surface surface tension and surface energy Surface tension: the cohesive force of molecules at the surface of an element attracting toward one another to take up the least possible surface area ...

Posted by XiLock on October 13, 2020

Knowledge 水凝胶

种类双网络水凝胶滑环水凝胶纳米复合水凝胶纳米颗粒增强水凝胶胶束交联水凝胶等类型。相互作用水凝胶的合成关键在于利用断裂“牺牲键”来有效耗散能量，进而增强水凝胶的机械性能。同时也赋予其可恢复性自修复性。氢键超分子识别络合作用静电作用疏水缔合等文献资料 Jianping Gong 模仿肌肉生长：Mechanore...

Posted by XiLock on October 13, 2020

Monte Carlo模拟

软件 MUSIC：免费软件用的比较多（美国西北大学snurr教授课题组开发，相应的算例也比较多） RASPA：http://muchong.com/html/201509/9443327.html MS Sorption: 《Monte Carlo methods in Materials Studio》http://dx.doi.org/10.1080/08927022.20...

Posted by XiLock on October 12, 2020

超算资源

配置名称配置单核峰值性能/单核内存单节点峰值性能 BSCC-A：北京超级云计算中心A分区 2路32核，EPYC 7452 @2.35GHz，256GB内存 DDR4 37Gflops/4GB 2.35Tflops ...

Posted by XiLock on October 11, 2020

2020-每周补脑5th

语录 Excellence is not a skill. It is an attidue. 优等的心，不比华丽，但必须坚固。言论与其他行会不同之处在于，大学专注的是学术研究。大学本意是指学术性的行会，university一词就来自于universitas scholarium，即由教师和学生组成的学者和学术的共同体。它不像普通的同业工会那样，执着于一门...

Posted by XiLock on October 10, 2020

电化学

Three electrode system platinum wire: counter electrode saturated calomel electrode (SCE): reference bare or modified glassy carbon eletrode (GCE): working electrode Mode DPV: differential pulse v...

Posted by XiLock on October 8, 2020

MultiWFN 待阅读

待阅读水-苯的C-H—pi例子：J. Chem. Theory Comput., 2013, 9 (5), pp 2226–2234 pi-pi堆积：J. Chem. Soc., Dalton Trans., 2000, 3885–3896 pi-pi堆积主要驱动力是靠pi电子云之间的电子相关作用维持的，而C-H—pi是以静电作用为主维持的。

Posted by XiLock on October 8, 2020