last day (15 days later) » 

2:16 PM
@Safdar o/
 
I am actually completely green with this. The one thing were I used it was for this.. chemistry.stackexchange.com/questions/136886/… Even this one, i had to talk to orthocresol to figure it out..
@Martin-マーチン hey.
 
Well, he has done some calculations, so he can help...
 
Where should I start if I wanted to learn?
 
If you have a computer though, I recommend trying to use that for calculations instead of the demo version of webmo
 
@Martin-マーチン He ran the same test to crosscheck for that question, there was flaws with my first computations.
@Martin-マーチン Using?
 
2:22 PM
I would recommend orca as a program. The interface is quite nice and there are plenty of tutorials.
 
@Martin-マーチン Using?
 
And it's free
You'll find almost everything you need there to make the first steps.
You could also use gamess, but installing it is a bit more involved.
Iirc orca is just unpacking stuff and it works...
 
@Martin-マーチン yay :)
@Martin-マーチン which is better to begin with?
 
Anyway, the installation routine should be described on the site. Anyone with a little passion for computers can do it ;)
 
@Martin-マーチン Thanks for this.. Just need to wait 3 hours for it to install though :D. Internet is slow right now.
 
2:28 PM
Orca has a nice large user community, a forum, the library. It's simple for beginners and you can do pretty evolved stuff later. That's a good turnout.
And if you know and understand what you do there, it'll be easier to get into all other suites.
I can't find the post on matter modelling with the recommendations for other things... Maybe have a look yourself.
There are plenty of folks there, too, and some are really hungry for questions. So, definitely have a look there...
 
@Martin-マーチン Alright.. I'll do that.
 
21
Q: Which Linux distribution is best for Matter Modeling?

ksousaIn some science fields there are efforts to provide customized distributions, so you can get a productive environment with minimum set-up overhead. For example, in high energy particle physics, we have Scientific Linux, in mathematics we have MathLibre, and in cybersecurity research we have Kali ...

That might be helpful...
 
@Martin-マーチン I use an iMac tho' :(
 
@Safdar nobody is perfect :p
At least you'll have support for quite a bit of quantum chemistry.
 
@Martin-マーチン what do you mean?
 
2:38 PM
@Safdar I think many packages can be used in the Unix environment on Mac
 
@Martin-マーチン I am still in high school, Although officially passed, and am going to buy a laptop. So, keeping this in mind, would windows or OSX be better?
Support wise i mean.
 
I don't know. Nowadays you can probably find a solution for everything. I've installed Linux on a Mac before, and you can have windows on it, too. So there are plenty of options. In the end it basically books down to taste and money...
Oh, and of course congratulations!
And good for you starting to figure out quantum chemistry so early ;)
 
@Martin-マーチン It sucks though.. I haven't had exams for college yet. so I am stuck in the middle.
@Martin-マーチン Well, its mostly thanks to the community here, more you the thiocyanato Q.. You're famous with my classmates.. :D
 
Haha, never would have thought that...
@Safdar these are challenging times, and is hard being stuck in the middle. Trust me, I have similar problems... Good luck though, and learning something new and interesting is always a good way to spend the time. It will be better again, just don't be discouraged from the current happening.
Well, I need to go now. But I'll read messages when I have the time, so don't hesitate to ask here. Make sure to ping me ;)
 
2:55 PM
@Martin-マーチン Thanks for your time. :D It helps.
 

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