Stefan Doerr 2ff294c6e3 Fixing XTC/DCD time and step writing (#4879) ...

* 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

2025-04-02 11:35:26 -07:00

14 KiB

Raw Permalink Blame History

View Raw