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Pull requests: plumed/plumed2

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Pull requests list

Proposing: compacting lower and upper walls into a single file
#1112 opened Sep 17, 2024 by Iximiel • Draft
1 of 7 tasks
Parallelization for AdjMatrices
#1159 opened Nov 26, 2024 by Iximiel • Draft
2
Optimize wholemolecules wip Do not merge
#1045 opened Mar 13, 2024 by GiovanniBussi
12
Typed vector and tensor
#1092 opened Jul 1, 2024 by Iximiel • Draft
3 of 7 tasks
12
Macro for fasterMulticolvar+named modes
#1158 opened Nov 19, 2024 by Iximiel • Draft
3
Use process group signal handling to reach past the shell
#1126 opened Oct 9, 2024 by twhitehead Loading…
2 of 7 tasks
5
Derivatives from back propagation and start of work on multicolvar GPUs
#1213 opened Feb 25, 2025 by gtribello Loading…
4 of 7 tasks
35
Using ParallelTaskManager in ProjectPoints, ThreeBodyGFunctions and MatrixVectorProduct
#1214 opened Mar 4, 2025 by gtribello Loading…
3 of 7 tasks
7
Cmake wip Do not merge
#934 opened May 10, 2023 by Iximiel • Draft
1 of 8 tasks
14
Gpu/secondary structure
#1225 opened Mar 17, 2025 by Iximiel • Draft
9
Added RMSD optimalAlignment GPU implementation wip Do not merge
#859 opened Sep 6, 2022 by zhang954527 Loading…
5 of 7 tasks
14
Reduced precision in output for a number of regtests as they were fai… wip Do not merge
#950 opened Jun 14, 2023 by gtribello Loading…
4 of 7 tasks
17
Start on work on moving calculation of derivatives to apply loop for actions that pass vectors and matrices wip Do not merge
#1093 opened Jul 4, 2024 by gtribello • Draft
3 of 7 tasks
61
ProTip! Updated in the last three days: updated:>2025-03-27.