Re: [Freeon-users] The FreeON wiki is open for business!

[Gao Bin]

Hi, Nick

Thank you. Since I just started to use FreeON (indeed I am still struggling to get it be compiled), I am afraid I could not contribute immediately, but I will do my best :-)

Now, I am trying to use FreeON. To me, the first step is to understand the keywords. I notice all the keywords are parsed in subroutines of FreeON directory, but there are ParseXX.f90 and XXKeys.f90. I wonder which files I should look into? Thank you so much.

Another question is related to the feature mentioned in wiki page "Advanced features include O(N) static and dynamic response, as well as time reversible Born Oppenheimer Molecular Dynamics (MD)". I am interested in dynamic response, but I did not find any routine in FreeON/Response.f90 related to dynamic response. Did I misunderstand or did I look into a wrong file? Moreover, may I ask what the reference papers for static and dynamic response? I notice there are some reference papers in http://en.wikipedia.org/wiki/FreeON, but I am not sure which one and if they are enough. Therefore, I think it would be better to put the reference list in the current wiki page (well, just my opinion).

Cheers

Gao

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From: Nicolas Bock address@hidden
Sent: Wednesday, April 25, 2012 8:40 PM
To: address@hidden; freeon-devel; Gao Bin; Jose R. Valverde
Subject: The FreeON wiki is open for business!

Hi,

please visit

http://freeon.lanl.gov

and check out our new wiki. There is nothing really on there yet, but we are hoping that with your help there will be soon. The wiki is completely open, which means that you can add, edit, and delete content as you wish, with or without a wiki account.

I suggest we think about what information a user or a developer would like to find on a wiki. My guess is (in no particular order of importance):

* API

* Input file syntax

* Example inputs, illustrating all features of FreeON

* A feature list

I would like to encourage you to add to this list and of course to start adding content to the wiki.

Thanks already for your help,

nick