Guillaume Fraux comments

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                                            Guillaume Fraux

Spurious "duplicate declaration" error with class members

I still get a similar error related to two SFINAE methods with doxygen 1.8.20, sphinx 3.2.1 and breathe 4.21.0. The code triggering the issue is reproduced below ```cpp template using...

Wrap Chemharp to Julia, and use it for IO

Thank you again ! I think the main difficulty for me will be to get the dependencies installed on Windows and Linux, as I am more comfortable with OS X....

Wrap Chemharp to Julia, and use it for IO

Thank you, that is very nice!

Wrap Chemharp to Julia, and use it for IO

Thank you, I finally managed to get my code to compile on OpenSuse build services ! I now face another issue when trying to use the produced RPM on Appveyor....

Wrap Chemharp to Julia, and use it for IO

> Not sure if it will help, but I think 13.1 is what we're using as the provider for most winrpm libraries. I'll try if I find how to use...

Wrap Chemharp to Julia, and use it for IO

Same issue ... I'll have to start a Windows VM.

Add commons potentials

In relation with #2, the potential code is going to be separated in two : - potential functions (the form of the functions) - Lennard-Jones - Harmonic - ... -...

Add commons potentials

This was done in 9ee0a2f8c9669a26a99ed9100b15979c774d5982

Use a lookup in a table to save time in potential computations ?

This could be OK with a relative diff of 10^-6 at least. So closing for now, I may try again with non linear interpolation someday.

Use a lookup in a table to save time in potential computations ?

This can be implemented as a BaseForceComputer subtype : ``` julia type TableLookupForces