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eljost / pysisyphus

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
GNU General Public License v3.0
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rx_modes not detected #275

Open rayzhel opened 1 year ago

rayzhel commented 1 year ago

the rx_modes keyword is not being read properly. image removing the s to have 'rx_mode' also gives an error. image

rayzhel commented 1 year ago

I forgot to mention that this is for the example in example/tsopt/05...

eljost commented 1 year ago

The example you are talking about works on the current master branch. What version are you using?

sofki commented 1 year ago

Hello, I am having the same problem. I am using the latest pysisiphus (I installed it yesterday).