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Feature #3428

Feature #3417: Make modular simulator feature-complete

Implement SIMD version of modular simulator propagators

Added by Pascal Merz 9 months ago.

Status:
New
Priority:
Normal
Assignee:
Pascal Merz
Category:
mdrun
Target version:
2021-infrastructure-stable
Difficulty:
uncategorized
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Description

Currently, SIMD versions of the modular simulator propagators are missing. Note that it might be worth to wait for #3423, #3424, #3426 and #3427 as they might extend the functionality in the propagators.

Related issues

Related to GROMACS - Feature #3423: Implement additional temperature and pressure control algorithms for modular simulatorNew
Related to GROMACS - Feature #3424: Implement stochastic dynamics / langevin integrator in modular simulatorNew
Related to GROMACS - Feature #3426: Support acceleration in modular simulatorNew
Related to GROMACS - Feature #3427: Support freeze groups in modular simulatorNew

History

#1 Updated by Pascal Merz 9 months ago

  • Related to Feature #3423: Implement additional temperature and pressure control algorithms for modular simulator added

#2 Updated by Pascal Merz 9 months ago

  • Related to Feature #3424: Implement stochastic dynamics / langevin integrator in modular simulator added

#3 Updated by Pascal Merz 9 months ago

  • Related to Feature #3426: Support acceleration in modular simulator added

#4 Updated by Pascal Merz 9 months ago

  • Related to Feature #3427: Support freeze groups in modular simulator added

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