Feature #3426
Feature #3417: Make modular simulator feature-complete
Support acceleration in modular simulator
Description
Decide which acceleration schemes should be supported (cf. #1354). Implement supported acceleration in modular simulator propagators.
Related issues
History
#1 Updated by Pascal Merz 5 months ago
- Related to Bug #1354: Constant acceleration NEMD is broken. added
#2 Updated by Pascal Merz 5 months ago
- Related to Feature #3428: Implement SIMD version of modular simulator propagators added
#3 Updated by Pascal Merz 5 months ago
Mark has a patch on gerrit to remove constant acceleration: https://gerrit.gromacs.org/c/gromacs/+/8944