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Pull requests: plumed/plumed2

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Pull requests list

[FIX] Moving the checkArgumentType error to its caller
#1168 opened Dec 18, 2024 by Iximiel Loading…
7 tasks
[FIX][TEST] rewrote /regtest/secondarystructure/rt-coverage-antibetarmsd for master
#1166 opened Dec 18, 2024 by Iximiel Loading…
7 tasks
fixed deprecation warning from pandas
#1165 opened Dec 17, 2024 by Iximiel Loading…
2 of 7 tasks
V2.10 patches/gromacs2025
#1162 opened Dec 2, 2024 by Iximiel • Draft
7 tasks
chore: unset executable permission
#1161 opened Nov 29, 2024 by e-kwsm Loading…
1 of 7 tasks
Depracated action tracking
#1160 opened Nov 26, 2024 by gtribello Loading…
4 of 7 tasks
1
Parallelization for AdjMatrices
#1159 opened Nov 26, 2024 by Iximiel • Draft
2
Macro for fasterMulticolvar+named modes
#1158 opened Nov 19, 2024 by Iximiel • Draft
3
Some fixes for cudaCoord (group-to-group)
#1152 opened Nov 8, 2024 by Iximiel • Draft
7 tasks
Added new method for links to switching function documentation
#1145 opened Oct 20, 2024 by gtribello Loading…
3 of 7 tasks
1
Changing pycv into a proper python package
#1134 opened Oct 14, 2024 by Iximiel Loading…
4 of 14 tasks
5
Use process group signal handling to reach past the shell
#1126 opened Oct 9, 2024 by twhitehead Loading…
2 of 7 tasks
5
Proposing: removing lines with more than one statements. (v2.10)
#1118 opened Oct 4, 2024 by Iximiel • Draft
7 tasks
Add DOI information to the json syntax file
#1115 opened Sep 27, 2024 by gtribello Loading…
3 of 7 tasks
1
Proposing: removing lines with more than one statements.
#1114 opened Sep 19, 2024 by Iximiel Loading…
3 of 7 tasks
5
Proposing: compacting lower and upper walls into a single file
#1112 opened Sep 17, 2024 by Iximiel • Draft
1 of 7 tasks
Link cells without PBC
#1100 opened Jul 24, 2024 by gtribello Loading…
4 of 7 tasks
1
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
Typed vector and tensor
#1092 opened Jul 1, 2024 by Iximiel • Draft
3 of 7 tasks
7
Enable EMST in all colvars using makeWhole() wip Do not merge
#1068 opened May 3, 2024 by GiovanniBussi Loading…
1
5
Optimize wholemolecules wip Do not merge
#1045 opened Mar 13, 2024 by GiovanniBussi Loading…
12
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
Cmake wip Do not merge
#934 opened May 10, 2023 by Iximiel • Draft
1 of 8 tasks
14
Added RMSD optimalAlignment GPU implementation wip Do not merge
#859 opened Sep 6, 2022 by zhang954527 Loading…
5 of 7 tasks
14
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