energy

Clayff力场(转载)

匿名 (未验证) 提交于 2019-12-02 23:32:01
本文转载自:http://blog.sina.com.cn/s/blog_b48a7ac30102w4km.html 注意: lammps中并没有完整的clayff势函数,需要将一下三者结合使用。 angle_style harmonic bond_style harmonic pair_style lj/cut/coul/long 12.5 使用过程中data文件很重要,键类型,键角,电荷都需要制定完备。键系数可以放在in文件中,也可以放在data文件中。键系数需要查阅相关文献或者和MS中GULP模块的clayff.frc势文件view看到。 V=Ar^(-12)-Br^(-6) V=DRo^12/r^12-2DRo^6/r^6 DRo^12=A 2DRo^6=B Ro^6=2A/B ~ 单位埃 1 KCal/mol=0.04336 eV describes the change in energy which occurs due to the change in bond length from its equilibrium value describes the change in energy due to change in the angle between two sequential covalent bonds from the equilibrium

Python pandas

匿名 (未验证) 提交于 2019-12-02 22:54:36
1.得到指定行的索引值。 In [7 ]: dframe = pd.DataFrame({ " A " :list( " abcde " ), " B " :list( " fghij " )}, index=[10,11,12,13,14 ]) # dframe """ Out[7]: A B 10 a f 11 b g 12 c h 13 d i 14 e j """ # 得到指定行的索引值 dframe.index[2 ] # output: 12 # 删除指定行 dframe.drop(dframe.index[2 ]) """ Out[99]: A B 10 a f 11 b g 13 d i 14 e j """ 2.一些作业记录 Question 1: import pandas as pd import string import re energy = pd.read_excel( ‘ Energy Indicators.xls ‘ , usecols=[2,3,4,5], skiprows=16, skipfooter=38, na_values=[ ‘ ... ‘ ]) energy1 = energy.drop([0]) for col in energy1.columns: if col[:7] == ‘ Unnamed ‘ : energy1

Do sse instructions consume more power/energy?

故事扮演 提交于 2019-12-02 22:20:19
Very simple question, probably difficult answer: Does using SSE instructions for example for parallel sum/min/max/average operations consume more power than doing any other instructions (e.g. a single sum)? For example, on Wikipedia I couldn't find any information in this respect. The only hint of an answer I could find is here , but it's a little bit generic and there is no reference to any published material in this respect. Mysticial I actually did a study on this a few years ago. The answer depends on what exactly your question is: In today's processors, power consumption is not much

C# 正则表达式应用

匿名 (未验证) 提交于 2019-12-02 22:10:10
正则表达式平时不常用,经常都是用的时候,临时抱佛脚,查文档,然后就是被各种坑之后,才会逐渐熟练。 在线正则表达式测试: http://tool.oschina.net/regex/ 在线JSON格式化: https://www.bejson.com/ 正则表达式手册: http://tool.oschina.net/uploads/apidocs/jquery/regexp.html 先来看下代码和运行效果吧 string msg, rex; Match m; msg = "昨日总能耗0度。 (长沙市口腔医院)星期一【紫衡技术】"; rex = @".*(昨日总?能耗)([0-9]{1,}[.]?[0-9]*)*度。 \((.*)\)(.{3}).*"; m = Regex.Match(msg, rex); Console.WriteLine("0:" + m.Success); WriteGroupInfo(m); //1 msg = @"上周总能耗28401.4度。 (沙井街道办)星期一【紫衡技术】"; rex = @".*(上周总?能耗)([0-9]{1,}[.][0-9]*)*度。 \((.*)\)(.{3}).*"; //昨日总能耗2582.1度。【长沙市天心区人民法院】2018 - 07 - 08【紫衡技术】 m = Regex.Match(msg, rex); var

【洛谷 3110】驮运 Piggy Back

牧云@^-^@ 提交于 2019-12-01 20:04:18
题目描述 Bessie and her sister Elsie graze in different fields during the day, and in the evening they both want to walk back to the barn to rest. Being clever bovines, they come up with a plan to minimize the total amount of energy they both spend while walking. Bessie spends B units of energy when walking from a field to an adjacent field, and Elsie spends E units of energy when she walks to an adjacent field. However, if Bessie and Elsie are together in the same field, Bessie can carry Elsie on her shoulders and both can move to an adjacent field while spending only P units of energy (where P

Continuously detect an NFC tag on Android

 ̄綄美尐妖づ 提交于 2019-12-01 13:43:24
From my reading and experimentation I have found that Android devices use some method to prevent duplicate reading of a tag ( as discussed here ). This is great for power conservation however limits the possible application of this technology. For example the problem I face is, I have a passive tag where the content is continuously updated. Once the tag has been read the phone stops detecting tags until it is removed, during this time you cannot continue to read the updated content in the tag without removing it from the field and re-tapping. Further more the magnetic field is either powered

Continuously detect an NFC tag on Android

核能气质少年 提交于 2019-12-01 10:30:27
问题 From my reading and experimentation I have found that Android devices use some method to prevent duplicate reading of a tag (as discussed here). This is great for power conservation however limits the possible application of this technology. For example the problem I face is, I have a passive tag where the content is continuously updated. Once the tag has been read the phone stops detecting tags until it is removed, during this time you cannot continue to read the updated content in the tag

ECON 331 - Homework

怎甘沉沦 提交于 2019-12-01 07:19:14
ECON 331 - Homework #2 due October 10th at 4pm in WMC3633 Late homework will not be considered. Show detailed calculations and/or provide detailed explanations to get full credit. Partial credit may be given. • Exercise 1. We consider a closed economy with three industries, energy, manufacturing and sector. The production of 1 unit of output of: - energy requires 0.5 units of manufacturing, 0.3 units of sector, and 0.2 unit of itself; - manufacturing requires 0.3 units of energy, 0.5 units of sector, and 0.2 unit of itself; - sector requires 0.2 units of energy, 0.3 units of manufacturing, and

Codeforces Round #472 Div. 2

与世无争的帅哥 提交于 2019-12-01 03:45:24
B. MysticalMosaic time limit per test 1 second memory limit per test 256 megabytes input standard input output standard output There is arectangular grid of n rows of m initially-whitecells each. Arkady performeda certain number (possibly zero) of operations on it. In the i -th operation, anon-empty subset of rows R i and a non-empty subset ofcolumns C i are chosen. For each row r in R i and eachcolumn c in C i , the intersection of row r andcolumn c is coloured black. There's anotherconstraint: a row or a column can only be chosen at most once among alloperations. In other words, it means

Calculating energy using MATLAB

这一生的挚爱 提交于 2019-12-01 01:58:42
Energy, which is as follows: can be found based on the MATLAB documentation using: stats = graycoprops(glcm, properties) For example, I typed this: >> a = [1 2; 3 4] a = 1 2 3 4 >> stats = graycoprops(a, {'energy'}) stats = Energy: 0.3000 If we want to do this manually , how did we get the energy value shown above? This is the part I didn't get clearly. If I'm not wrong: ans=sum(a(:).^2)/sum(a(:)).^2 来源: https://stackoverflow.com/questions/14599816/calculating-energy-using-matlab