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The vtkm version needs to add error information feedback

Status: Open.

#65 In randbatch-md/rbmd;

· ShiQiaoL opened on Oct 17, 2024

Specify the path of the input file rbmd.json

Status: Open.

#63 In randbatch-md/rbmd;

· ShiQiaoL opened on Oct 10, 2024

[New Feature]:Add NPT_Berendsen pressure algorithm for Molecular system

Status: Open.

#59 In randbatch-md/rbmd;

· Luozedong0920 opened on Sep 6, 2024

[Enhancement]: New docker of RBMD v2.1.0

EnhancementSomething need to improveSomething need to improve

Status: Open.

#58 In randbatch-md/rbmd;

· Cavey-QW opened on Sep 6, 2024

Bugs related to output

BugSomething isn't workingSomething isn't working

Status: Open.

#57 In randbatch-md/rbmd;

· ShiQiaoL opened on Sep 4, 2024

[Enhancement]: DCU device

EnhancementSomething need to improveSomething need to improve

Status: Open.

#54 In randbatch-md/rbmd;

· Cavey-QW opened on Aug 27, 2024

[Enhancement]: Supercomputing installation DCU code

EnhancementSomething need to improveSomething need to improve

Status: Open.

#48 In randbatch-md/rbmd;

· Cavey-QW opened on Aug 9, 2024

ML-MACE-RBMD

Status: Open.

#45 In randbatch-md/rbmd;

· randbatch-md opened on Aug 2, 2024

merge code

Status: Open.

#43 In randbatch-md/rbmd;

· randbatch-md opened on Aug 2, 2024

[Enhancement]: Add validation MPI parallel computing

EnhancementSomething need to improveSomething need to improve

Status: Open.

#42 In randbatch-md/rbmd;

· Cavey-QW opened on Aug 2, 2024

ML-MACE-RBMD

Status: Open.

#38 In randbatch-md/rbmd;

· zkhxsz opened on Jul 29, 2024

[New Feature]:EAM alloy potential for RBMD

New FeatureFeature RequestFeature Request

Status: Open.

#35 In randbatch-md/rbmd;

· Luozedong0920 opened on Jul 29, 2024