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pyMBE-dev / pyMBE

pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
https://pymbe-dev.github.io/pyMBE/pyMBE.html
GNU General Public License v3.0
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Improve read and write functions #30

Closed paobtorres closed 5 months ago

paobtorres commented 6 months ago

fixes #4

paobtorres commented 6 months ago

@pm-blanco Yes, I'm currently working on it .

pm-blanco commented 6 months ago

@paobtorres ok, otherwise your implementation looks reasonable to me.

paobtorres commented 5 months ago

@pm-blanco Finally solved all the merge problems. Now is ready for review

paobtorres commented 5 months ago

@pm-blanco Ready for review! I adapted functions and scripts to consider parameter_of_the_potential a dict not a str.