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md44.tar
- 分子动力学模拟程序,用于材料学方面的科学研究,在此基础上可发展应用到蛋白质等领域的研究-molecular dynamics simulation program for the material aspects of scientific research, on this basis can be applied to the development of protein and other areas of research
rational1
- 一个有理数可以表示成分子与分母都是整数的一个分数。定义一个表示有理数的类Rational(包括方法的实现),-a rational elements can be expressed as the denominator are integral with a score. A definition of the category, said Rational Rational (including the method of achieving)
BaHF
- 本代码用于BaHF分子动力学的模拟计算,其中文件包里面的byt.inp为数据输入文件,不可丢掉哦-BaHF the code for the molecular dynamics simulation, which package inside byt.inp for data entry documents, not lose!
symplectic
- 4阶6阶及8阶的辛几何算法源程序计算分子模型-four-six-eight bands and the symplectic geometry algorithm source molecular model
xmd-2.5.32
- 一个很好的分子动力学程序,它提供了很多命令语句供用户进行建模和计算。-a good molecular dynamics procedure, it provides a lot of orders for users statement modeling and calculation.
poco_org
- 一个有用的分子动力学小辅助程序,用于计算分子间的势函数,跟lammps合起来用
GCMC
- 巨正则系综蒙特卡罗算法的源程序;可以用来进行吸附等分子模拟;最大的好处在于可以插入或删除原子
bioinformatics by Baxevanis 中文版
- 随着人类基因组计划的实施,通过基因组测序,蛋白质序列测定结构解析等实验,分子生物学家提供了大量的有关生物分子的原始数据,需要利用现代计算技术对这些原始数据进行收集、整理、管理以便于检索使用。而为了解释和理解这些数据,还需要对数据进行比对、分析,建立计算模型,进行仿真、预测与验证,因而出现生物信息学,它的出现,极大的促进了分子生物学的发展。-With the human genome project implementation, through genome sequencing, protei
CPV
- 分子动力学工具cp,完整代码,包含makefile-Molecular dynamics tool cp, complete code, including the makefile
dsmc_airflowinmicro
- 直接蒙特卡洛方法计算微管气体流动,主程序所选择的分子数及模拟单元可以修改,包含7个子程序,和一个随机数函数。-The air flow in micropipe with direct simulation mente kalro, we can use different simulation, fortran90
md1
- 使用FORTRAN90编写的,分子动力学模拟程序,包含了输入文件等等。-MD1 is a FORTRAN90 program which is the first of a series of programs that show a typical molecular dynamics simulation
EXAM6
- 由两平行平板组成的突扩通道,尺寸如图所示。流动为层流。入口流速均匀,入口温度均匀,通道壁温均匀。分子粘性、密度已知,求:通道中流体的速度分布、温度分布、密度分布及压力场。-Formed by two parallel plates sudden expansion channel, size as shown. Flow is laminar flow. Uniform inlet velocity, inlet temperature uniformity, the channel wall
CPHYS
- 计算物理课件,有 有限差分方法,蒙特卡洛方法,有限元素方法,分子动力学方法-Computational Physics Courseware, a finite-difference methods, Monte Carlo methods, finite element methods, molecular dynamics method
mol_formula_calc
- Molecular Formula calculator 分子式计算器。用于FTICRMS傅立叶变换高分辨质谱仪分子峰分子式的计算。-Molecular Formula calculator is used for molecular formula calculation of FTICRMS ions.Version is v 1.0, 1998.
F.1
- 用fortran语言实现周期边界条件,应用于分子仿真-THREE ROUTINES ILLUSTRATING THE IMPLEMENTATION OF PERIODIC BOUNDARY CONDITIONS FOR SIMULATIONS IN DIFFERENT GEOMETRIES.
F.2
- GEAR ALGORITHM 计算算法,用于 计算微分计算,如求分子运动轨迹,力,加速度-GEAR ALGORITHM , NUMERICAL INITIAL VALUE PROBLEMS IN ORDINARY DIFFERENTIAL EQUATIONS
molecular_flow
- 模拟分子流态下气体分子通过过渡弯管道的过程-Simulation of gas molecules under molecular flow through the transition process of bending pipes
distribution_of_rectangulartube
- 气体分子在分子流态下经过方管时延管壁的相对入射密度分布-Gas molecules under molecular flow through the side wall of tube time delay density distribution of the relative incidence
positional_ditribution
- 计算分子流态下气体分子在通过直圆管道时的位置分布-Calculation of gas molecules under molecular flow through straight circular pipes at the location of distribution
分子动力学-一个简单的小程序
- 采用伦纳德-琼斯势。r由均匀随机数产生,v,a赋零。边界条件为周期边界条件。采用的算法是速度verlet算法。 模拟的系综是正则系综。