Test the correctness of the modified MD module #4248
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mohanchen
reviewed
May 30, 2024
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| void Verlet::anderson_set_vel(void) | ||
| { | ||
| double deviation; |
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initialize the variable
| @@ -269,38 +269,82 @@ void MSST::rescale(std::ofstream& ofs, const double& volume) | |||
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| void MSST::propagate_vel(void) | |||
| { | |||
| if (mdp.my_rank == 0) | |||
| #ifndef __MPI | |||
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is there a better way to write "MPI" and "not MPI" codes?
mohanchen
changed the title
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Since no updates for a few weeks, I will close this PR. |
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Reminder
Linked Issue
Fix #...
Unit Tests and/or Case Tests for my changes
What's changed?
Any changes of core modules? (ignore if not applicable)