Ask Question, Ask an Expert


Ask C/C++ Expert

Home >> C/C++

Molecular dynamics for a Lennard-Jones system (in C++):

1) prepare a function that reads in the input variables of a molecular dynamics simulation of a Lennard-Jones system. The input variables are: temperature, density, number of particles, a flag to find out the type of lattice, ex: simple cubic, face-centered cubic, body-centered cubic (later as well the number of time steps).

2) prepare a function that sets up the initial place of a molecular dynamics simulation.

3) prepare a function that sets up the initial velocities of a molecular dynamics simulation.

4) prepare a molecular dynamics algorithm mainly based on the Verlet algorithm.

Compute the average kinetic energy, potential energy and their standard deviations. As well produce plots of the kinetic, potential and total energies and check whenever energy is conserved.

Monte Carlo for a Lennard-Jones system (in C++):

Based on set-up for the molecular dynamics program, prepare a Monte Carlo code for the Lennard-Jones system.

Compute the acceptance ratio. Compute the average potential energy and compare it to the outcome of a molecular dynamics run with similar parameters (that is, density, number of atoms and temperature).

C/C++, Programming

  • Category:- C/C++
  • Reference No.:- M9125

Have any Question? 

Related Questions in C/C++


Write a C++ program that will use loops to perform each of the following tasks: 1. Ask the user for two characters from the keyboard and read them into char variables. Determine which input is larger and which is smaller ...

1 requirementsin this assignment you can unleash your

1. REQUIREMENTS In this assignment, you can unleash your imaginations and use OpenGL with C/C++ programming to produce a scene(s) that represents what you envision could possibly be seen under the sea. Please note that a ...

Pa 1 word countertabulating basic document statistics is an

PA #1: Word Counter Tabulating basic document statistics is an interesting exercise that leverages your knowledge of strings, files, loops, and arrays. In this homework, you must write a C++ program that asks the user fo ...

Discussion questionsplease respond to all of the following

Discussion Questions Please respond to all of the following prompts: • What is a friend function and how is it declared? • Which operators cannot be overloaded and why? • What is a macro in C++ programming and what are s ...

Programming assignment- in this assignment you are

Programming Assignment- In this assignment you are requested to write a C++ program that displays the following colored pyramid on the screen: - The pyramid is 71 characters wide and 21 characters high. - To draw it, you ...

Objectives- gain experience with if if else and switch

Objectives - Gain experience with if, if else, and switch statements in C programs. - Experience using % operator and true false logic. Hints This program will be MUCH easier if you design how to do the logic in your own ...

This program involves using stl listsfor this program you

This program involves using STL lists. For this program you will implement three functions whose prototypes are given below: list ::iterator mxIter(list ::iterator first, list ::iterator last); void selectSort(list & aLi ...


Program Write a C++ program that will: Ask the user for the name of an input file. Read in this name and open that text file for input. Ask the user which of two options they want to do: Read in student data Count lines ...

C program codeoverviewfor this assignment write a program

C++ program code Overview For this assignment, write a program that will simulate a single game of Craps. Craps is a game of chance where a player (the shooter) will roll 2 six-sided dice. The sum of the die will determi ...

Write code to create the generator submit your source code

Write code to create the generator. Submit your source code as well as a description of how I could run the program, sample screenshots of the program in action, and the various changes that could be produced through you ...

  • 4,153,160 Questions Asked
  • 13,132 Experts
  • 2,558,936 Questions Answered

Ask Experts for help!!

Looking for Assignment Help?

Start excelling in your Courses, Get help with Assignment

Write us your full requirement for evaluation and you will receive response within 20 minutes turnaround time.

Ask Now Help with Problems, Get a Best Answer

A cola-dispensing machine is set to dispense 9 ounces of

A cola-dispensing machine is set to dispense 9 ounces of cola per cup, with a standard deviation of 1.0 ounce. The manuf

What is marketingbullwhat is marketing think back to your

What is Marketing? • "What is marketing"? Think back to your impressions before you started this class versus how you

Question -your client david smith runs a small it

QUESTION - Your client, David Smith runs a small IT consulting business specialising in computer software and techno

Inspection of a random sample of 22 aircraft showed that 15

Inspection of a random sample of 22 aircraft showed that 15 needed repairs to fix a wiring problem that might compromise

Effective hrmquestionhow can an effective hrm system help

Effective HRM Question How can an effective HRM system help facilitate the achievement of an organization's strate