pylammpsmpi
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Allow switching between MPI and srun as backends
Summary by CodeRabbit
-
New Features
- Introduced an optional parameter
use_srun
to enhance control over task execution in simulation environments. This allows users to optionally utilizesrun
for launching simulations, providing flexibility in resource management and execution strategies.
- Introduced an optional parameter
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Enhancements
- Expanded functionality across multiple modules to support the new
use_srun
parameter, ensuring consistent behavior and integration in different contexts of the application.
- Expanded functionality across multiple modules to support the new