Model Hexagonal Ice Ih using C++: Tips & Visualizations

In summary: Hexagonal ice is one of the many forms of solid water, and there are many ways to model it. Some books that may be helpful for understanding the basics of computational chemistry and modeling include Jensen's "Introduction to Computational Chemistry" and Cramer's "Essentials of Computational Chemistry". Additionally, there are various software programs available for chemical calculations, modeling, and visualization. However, without a specific understanding of what type of model or property you are trying to calculate, it is difficult to recommend a specific program or approach. It may be helpful to consult with a more experienced researcher or consult additional resources on computational chemistry to better understand and plan your project.
  • #1
pazmush
32
0
Hexagonal ice??

Has anyone ever modeled hexagonal ice Ih using c++ before??

Or has anyone got any tips on how to visualize the structure?
 
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  • #2


I'm sure someone has. But the choice of programming language wouldn't normally be the first consideration. What kind of model did you have in mind?

There's quite a lot of software out there, open source, commercial and otherwise for all types of chemical calculations, modelling and visualization. There's also a plethora of books on computational chemistry.
 
  • #3


Could you recommend any specific books?

Or programmes?
 
  • #4


Nobody will be able to help as long as you don't explain what exactly you want to model. "Hexagonal ice" is rather ambiguous.
 
  • #5


pazmush said:
Could you recommend any specific books?

Or programmes?

You'd have to tell me what kind of model you want to do? Or at least what kind of properties you want to calculate, so that you can decide upon a model.

You could start with a book like Jensen's "Introduction to computational chemistry". It has a broad scope that covers most areas and methods.
 
  • #6


Ok, well I'm trying to model proton disordered ice Ih, and so far I've managed to draw an 8 molecule unit cell usiong c++ and openGL but its not very good, have you got any tips
 
  • #7


Do you just want to draw a model, or do you want to model (ie calculate) some specific property of the ice?
 
  • #8


I would like to be able to produce proton disordered ice, using some kind of algorithm or somthing which i haven't quite figured out.

And i need to be able to make the crystal as big as possible , probably like a 5X5X5 or greater set of unit cells.
 
  • #9


Or maybe work some stuff out, that would be pretty good.
 
  • #10


Can anyone help with the proton disordering in c++?

Apparently its really easy.

Is think i understand the concept but my programming skills arent so hot so i don't really know wher eto start.
 
  • #11


We still have no idea what you are doing.
 

1. What is Model Hexagonal Ice Ih?

Model Hexagonal Ice Ih is a computational model that simulates the molecular structure and behavior of hexagonal ice Ih, which is the most common form of ice found on Earth's surface.

2. Why is C++ used for this model?

C++ is a high-level programming language that is commonly used in scientific and engineering fields due to its efficiency, versatility, and ability to handle complex mathematical calculations. It is also well-suited for creating simulations and visualizations.

3. What are some tips for working with this model?

Some tips for working with Model Hexagonal Ice Ih in C++ include familiarizing yourself with the basic syntax and functions of the language, using efficient algorithms to handle large amounts of data, and continuously testing and debugging your code to ensure accuracy.

4. How can visualizations enhance the understanding of this model?

Visualizations can help to illustrate the complex molecular structure and behavior of hexagonal ice Ih in a more tangible and accessible way. They can also aid in identifying patterns and trends in the data, allowing for a deeper understanding of the model's results.

5. Are there any additional resources for learning more about this model?

Yes, there are various online resources, tutorials, and textbooks available for learning more about Model Hexagonal Ice Ih and its implementation in C++. It may also be helpful to consult with other scientists or programmers who have experience with similar simulations.

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