- Email: email@example.com
- Registered on:
- Last connection: 10/01/2018
- 08:50 AM GROMACS Task #1852: Remove group scheme
- Let's wait until we make the release, but then it's fine. The reason for waiting is that experience tells me we'll ha...
- 08:47 PM GROMACS Feature #2641: Possible l-bfgs improvements
- I'll let this be open another 2-3 weeks in case there is any feedback, but if it stays silent I'll close it ;-)
- 03:16 PM GROMACS Feature #2641: Possible l-bfgs improvements
- Just remember that we don't use a minimizer in isolation.
The Gromacs minimizers seem to work just A-OK when used ...
- 02:41 PM GROMACS Feature #2641 (Rejected): Possible l-bfgs improvements
- I don't necessarily think this is an error, and in any case I'm pretty sure it's not in the minimizers.
- 05:20 PM GROMACS Bug #2397: Difference between single rank and multiple rank when pulling using constraints relative to rest of the system
- If it causes silent incorrect results I think we need to add it, patch release or not?
- 01:30 PM GROMACS Bug #2588 (Resolved): anyTrue(SimdDIBool) implementation for AVX_256, double precision
- Applied in changeset commit:c8e885b41c32fdb3ce0b9dc748819e11de7a8c48.
- 10:33 AM GROMACS Revision c8e885b4: Fix SIMD anyTrue bug, and add better unit test
- The double precision versions could occasionally
- 02:52 PM GROMACS Bug #2588 (Fix uploaded): anyTrue(SimdDIBool) implementation for AVX_256, double precision
- 02:48 PM GROMACS Task #2539: Support hwloc 2.x.x
- I would leave the release branch alone, because every single change we make there comes with the risk of introducing ...
- 06:51 PM GROMACS Feature #2545: Should grompp fix periodicity of input files?
- .... But that still leaves the danger if somebody tries to fit a periodic molecule we did not make whole (not to ment...
Also available in: Atom