• Stefan Doerr's avatar
    Fixing XTC/DCD time and step writing (#4879) · 2ff294c6
    Stefan Doerr authored
    * add tests for correctness of step and time written in XTC and DCD
    
    * improve tests
    
    * improve xtc tests
    
    * fix XTC/DCD time/step writing
    
    * different approach by changing the reporters to not pass currentStep as firstStep but instead interval
    
    * undo change
    2ff294c6
TestXtcFile.py 14.1 KB