[gmx-developers] Where can I find the soruce code calculating the kinetic energy

[1185201182]

Dear Developers


As I said in the previous email, I really need to locate the code where the kinetic energy is calculated. I have been debugging the code for almost one week, but I have not found it. I do appreciate any help from any developers.





------------------ Original ------------------
From:  "我自己的邮箱";<1185201182 at qq.com>;
Date:  May 7, 2019
To:  "gmx-developers"<gmx-developers at gromacs.org>; 

Subject:  Where can I find the soruce code calculating the kinetic energy



Dear Developers


I want to calculate the temperature according to the theory developed in our group. In accordance with that theory, I have to slice the box and then calculate the kinetic energy in each bin, and finally calculate the temperature in each bin. Now I have trouble finding the source code for kinetic energy. I found the "compute_globals" function and other sub functions called by it, but I did not find one line code where the  kinetic energy is calculated by the standard definition of   kinetic energy= 0.5*(V*V). 



Could someone tell me where it is? Or could someone give some clues about how to achieve my idea if you think starting from the standard definition of   kinetic energy is not a good idea?


Thank you very much!


Fan Li
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