Bug: writer cannot write inter-atomic heat flux in netCDF format - Githubissues

yamatolab / current-calculations-for-proteins

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Bug: writer cannot write inter-atomic heat flux in netCDF format #41

Open passive-radio opened 2 days ago

passive-radio commented 2 days ago

What

Error when writing inter-atomic heat flux in netCDF format. Cause of this error: https://github.com/yamatolab/current-calculations-for-proteins/blob/221028322d184fe67a79bbcd61b1b826f2504093/curp/current/writer.py#L277

passive-radio commented 2 days ago

https://github.com/yamatolab/current-calculations-for-proteins/pull/40/commits/7f27e6aad74fb12c8c9b85f2df093987f86ecfca include bug fixes when writing inter-atomic heat flux in netCDF format. writing in ascii format is OK without any changes.