How to locate a module (API) in the source code to gain better understanding of DeepMD #788
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DingChangjie
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The documentation will be added in next major version. You need to switch to |
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Dear developers and users :
I'm trying to infer a frame from an already trained .pb file (to get its energy) by Python. There is , indeed, an example of this, which prompted a module called deepmd.DeepPot should be used. However, I find the example a little ambiguous, especially for the meaning of "atype(atom type)" and "cell".
I think it would be better for users to check the source code. I downloaded the v1.3.3 code (which I've been using), but find it quite troublesome for me to begin. Could anyone please share some experience on how to locate a module and understand its code ?
For instance, is there any detailed documentation about every module ? Should I find the code from the freshly downloaded files, or the program built by cmake?
Thanks a lot in advance !
PS : I have some experience on python, and a little on C++ and cmake. However, till now I haven't had any experience on developing or maintaining a project ...
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