lumol-org / lumol

Universal extensible molecular simulation engine
http://lumol.org/
BSD 3-Clause "New" or "Revised" License
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Add an Ouput writting the initial configuration #248

Open Luthaf opened 6 years ago

Luthaf commented 6 years ago

As discussed in #213, this might be useful in conjunction with binary formats without topology information. For example, one can write both the trajectory in a binary format and the initial configuration in a more complete format to improve visualization.