Re: Quantum chemistry in Julia

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Re: Quantum chemistry in Julia

Hao Xu

Hi..I am a physics student and I am studying Quantum Mechanics now,and very interesting in the project of JuliaQ. But since I am just learning the Quantum Mechanics these days,I wanna join the development of the JuliaQ  to practice what I learned .And I am in Boston this summer under a Internship of Harvard .So glad to see u at Boston.
在 2014年7月10日星期四UTC-4上午1时58分06秒,Xiaodong Qi写道:
Glad to see all of your positive response on initializing the Julia Quantum organization! I just created the organization called <a href="https://github.com/JuliaQ" target="_blank" onmousedown="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2FJuliaQ\46sa\75D\46sntz\0751\46usg\75AFQjCNGmkRLQ7Ykmqax1Jaq13966YoItvg';return true;" onclick="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2FJuliaQ\46sa\75D\46sntz\0751\46usg\75AFQjCNGmkRLQ7Ykmqax1Jaq13966YoItvg';return true;">JuliaQ on GitHub with Jarrett Revels who has been building a good starting library for our future projects. Please send your GitHub User ID to me so that I can add you into this organization. I have initialized a public page at <a href="http://juliaq.github.io/" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fjuliaq.github.io%2F\46sa\75D\46sntz\0751\46usg\75AFQjCNF3hi3TG0ofTewlpPy3oJrAcQWNhw';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fjuliaq.github.io%2F\46sa\75D\46sntz\0751\46usg\75AFQjCNF3hi3TG0ofTewlpPy3oJrAcQWNhw';return true;">http://juliaq.github.io/ and all discussions regarding the organization should be posted on our issue tracking page at <a href="https://github.com/JuliaQ/JuliaQ.github.io/issues" target="_blank" onmousedown="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2FJuliaQ%2FJuliaQ.github.io%2Fissues\46sa\75D\46sntz\0751\46usg\75AFQjCNGDrs65SSFtQj13j6WSvu18UMmH_Q';return true;" onclick="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2FJuliaQ%2FJuliaQ.github.io%2Fissues\46sa\75D\46sntz\0751\46usg\75AFQjCNGDrs65SSFtQj13j6WSvu18UMmH_Q';return true;">https://github.com/JuliaQ/JuliaQ.github.io/issues

I will announce JuliaQ in another thread once we have a good shape. Please tell your friends who are interested in contributing to quantum related projects to join us. 
 
PS: I am going to attend a week-long Gordon conference for quantum science in Easton, MA, USA from July 26-Aug 1. I should be able go to MIT for a short visit. If anyone is interested in having a meeting up, we should plan for it... 

On Saturday, June 21, 2014 8:02:37 PM UTC-6, Rick Muller wrote:
I have some of the basic quantum chemistry functionality from PyQuante now working in Julia, for anyone who is into this sort of thing: <a href="https://github.com/rpmuller/pyquante2/tree/master/julia" target="_blank" onmousedown="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2Frpmuller%2Fpyquante2%2Ftree%2Fmaster%2Fjulia\46sa\75D\46sntz\0751\46usg\75AFQjCNEa3MUDu2uMhqOpehXaWl6Bjf-L8w';return true;" onclick="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2Frpmuller%2Fpyquante2%2Ftree%2Fmaster%2Fjulia\46sa\75D\46sntz\0751\46usg\75AFQjCNEa3MUDu2uMhqOpehXaWl6Bjf-L8w';return true;">https://github.com/rpmuller/pyquante2/tree/master/julia

Very very preliminary now. Just got a simple Hartree-Fock example working.

I'd welcome anyone's comments. 
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Re: Quantum chemistry in Julia

Xiaodong Qi
Glad you find us. The announcement of JuliaQuantum org has been posted in another thread: https://groups.google.com/forum/?fromgroups=#!topic/julia-dev/sEJUskG6Xww. Or, you can visit our website at https://JuliaQuantum.github.io/ . You are invited to join our conversions linked on the website, and we will find out a way for you and others to contribute to the project with your strong suit. Maybe see you in Boston :)

On Wednesday, July 23, 2014 2:25:35 AM UTC-6, Hao Xu wrote:

Hi..I am a physics student and I am studying Quantum Mechanics now,and very interesting in the project of JuliaQ. But since I am just learning the Quantum Mechanics these days,I wanna join the development of the JuliaQ  to practice what I learned .And I am in Boston this summer under a Internship of Harvard .So glad to see u at Boston.
在 2014年7月10日星期四UTC-4上午1时58分06秒,Xiaodong Qi写道:
Glad to see all of your positive response on initializing the Julia Quantum organization! I just created the organization called <a href="https://github.com/JuliaQ" target="_blank" onmousedown="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2FJuliaQ\46sa\75D\46sntz\0751\46usg\75AFQjCNGmkRLQ7Ykmqax1Jaq13966YoItvg';return true;" onclick="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2FJuliaQ\46sa\75D\46sntz\0751\46usg\75AFQjCNGmkRLQ7Ykmqax1Jaq13966YoItvg';return true;">JuliaQ on GitHub with Jarrett Revels who has been building a good starting library for our future projects. Please send your GitHub User ID to me so that I can add you into this organization. I have initialized a public page at <a href="http://juliaq.github.io/" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fjuliaq.github.io%2F\46sa\75D\46sntz\0751\46usg\75AFQjCNF3hi3TG0ofTewlpPy3oJrAcQWNhw';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fjuliaq.github.io%2F\46sa\75D\46sntz\0751\46usg\75AFQjCNF3hi3TG0ofTewlpPy3oJrAcQWNhw';return true;">http://juliaq.github.io/ and all discussions regarding the organization should be posted on our issue tracking page at <a href="https://github.com/JuliaQ/JuliaQ.github.io/issues" target="_blank" onmousedown="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2FJuliaQ%2FJuliaQ.github.io%2Fissues\46sa\75D\46sntz\0751\46usg\75AFQjCNGDrs65SSFtQj13j6WSvu18UMmH_Q';return true;" onclick="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2FJuliaQ%2FJuliaQ.github.io%2Fissues\46sa\75D\46sntz\0751\46usg\75AFQjCNGDrs65SSFtQj13j6WSvu18UMmH_Q';return true;">https://github.com/JuliaQ/JuliaQ.github.io/issues

I will announce JuliaQ in another thread once we have a good shape. Please tell your friends who are interested in contributing to quantum related projects to join us. 
 
PS: I am going to attend a week-long Gordon conference for quantum science in Easton, MA, USA from July 26-Aug 1. I should be able go to MIT for a short visit. If anyone is interested in having a meeting up, we should plan for it... 

On Saturday, June 21, 2014 8:02:37 PM UTC-6, Rick Muller wrote:
I have some of the basic quantum chemistry functionality from PyQuante now working in Julia, for anyone who is into this sort of thing: <a href="https://github.com/rpmuller/pyquante2/tree/master/julia" target="_blank" onmousedown="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2Frpmuller%2Fpyquante2%2Ftree%2Fmaster%2Fjulia\46sa\75D\46sntz\0751\46usg\75AFQjCNEa3MUDu2uMhqOpehXaWl6Bjf-L8w';return true;" onclick="this.href='https://www.google.com/url?q\75https%3A%2F%2Fgithub.com%2Frpmuller%2Fpyquante2%2Ftree%2Fmaster%2Fjulia\46sa\75D\46sntz\0751\46usg\75AFQjCNEa3MUDu2uMhqOpehXaWl6Bjf-L8w';return true;">https://github.com/rpmuller/pyquante2/tree/master/julia

Very very preliminary now. Just got a simple Hartree-Fock example working.

I'd welcome anyone's comments. 
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