- Registered on: 03/27/2017
- Last connection: 01/14/2020
- 11:13 PM GROMACS Feature #2070: Physical validation testing
- Physical validation is available. Future discussions should include
* Are all relevant code paths covered? Would s...
- 09:00 AM GROMACS Bug #3233 (New): clang-format incorrectly aligning altered function arguments
- In https://gerrit.gromacs.org/c/gromacs/+/14758, I changed...
- 02:23 AM GROMACS Bug #3151 (In Progress): integrator md-vv does not print at nstlog
- 12:21 AM GROMACS Revision d18aabe6: Remove dependence of mdoutf_write_to_trajectory_files on global top
- mdoutf_write_to_trajectory_files is currently taking the full global
topology object as input, but uses only the numb...
- 08:25 PM GROMACS Revision 66bf1a79: Rename Integrator class
- This renames the `Integrator` class to `Simulator`, which does not
actually represent integrators, but rather types o...
- 08:04 PM GROMACS Task #2943: Rename Integrator
- re: mdp-option - how about simulation-algorithm?
- 04:39 AM GROMACS Revision 29616660: Use Python 3
- This updates the Python scripts shipped with GROMACS to use Python 3.5+.
Most changes done are either due to `__cmp__...
- 08:40 AM GROMACS Task #2943: Rename Integrator
- (My favorite would probably be *SimulationRunner*, but this seems a bit close to the runner we already have one level...
- 08:39 AM GROMACS Task #2943 (Closed): Rename Integrator
- In the current code, the name _Integrator_ is used for the class of the object owning the family of functions running...
- 04:50 AM GROMACS Revision 1b1abdba: Failproof signal conversion
- When introducing the signal handlers, we decided to use scoped enums to
define the different simulation signals (chan...
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