Search found 5 matches

by Shiv Upadhyay
Thu Dec 22, 2016 8:45 pm
Forum: The CASINO program
Topic: Using casino for nuclear physics
Replies: 1
Views: 20829

Re: Using casino for nuclear physics

Hi Shamil, The CASINO code is mainly used for electronic structure calculations. Although there is a way to include other particles besides electrons using the "PARTICLES" keyword, it seems like that's not what you are looking for. If you could post what systems you wanted to look at and w...
by Shiv Upadhyay
Tue Jul 19, 2016 12:23 am
Forum: The CASINO program
Topic: CASINO installation problem
Replies: 1
Views: 8519

Re: CASINO installation problem

I suppose since no one is biting, I will.

I think you may be able to temporarily fix this by changing line 697 of "install" which says:

Code: Select all

*Fedora*|*CentOS*) # FIXME: And  RHEL. And...
change this to:

Code: Select all

*Fedora*|*Red*|*CentOS*) # FIXME: And  RHEL. And...
Let me know if this works.
by Shiv Upadhyay
Wed Jan 13, 2016 2:58 pm
Forum: The CASINO program
Topic: QMC on large systems
Replies: 8
Views: 16883

Re: QMC on large systems

Vladimir, Thanks for the feedback. Using autopep8 https://pypi.python.org/pypi/autopep8 I formatted to the pep8 conventions. Using pep257 https://pypi.python.org/pypi/pep257 I formatted to the pep257 conventions. I believe it should be good now, but I would appreciate any recommendations. Thank you,...
by Shiv Upadhyay
Wed Jan 13, 2016 3:59 am
Forum: The CASINO program
Topic: QMC on large systems
Replies: 8
Views: 16883

Re: QMC on large systems

Dr. Drummond and Dr. Towler, Thanks for your quick replies. You've both given me a lot of insight on how to implement this, and I'll get started on it. I don't foresee any major issues (but who does?) I'd be extremely happy if the graphing was implemented into CASINO provided its not a hassle. Let m...
by Shiv Upadhyay
Mon Jan 11, 2016 2:41 am
Forum: The CASINO program
Topic: QMC on large systems
Replies: 8
Views: 16883

QMC on large systems

Hi all, Let me preface this with a warning: I am a first year graduate student working with QMC so if I ask a stupid question that can be easily answered with some reading please direct me towards the resources! First, I wanted to draw some attention to a python alternative to the graphdmc utility. ...