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Pull requests: plumed/plumed2
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Interface to metatensor to use arbitrary machine learning models as collective variables
#1082
opened May 23, 2024 by
Luthaf
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5 of 12 tasks
More helpful exception text for Registerbase
#1080
opened May 21, 2024 by
Iximiel
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2 of 7 tasks
Enable EMST in all colvars using makeWhole()
wip
Do not merge
#1068
opened May 3, 2024 by
GiovanniBussi
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Reduced precision in output for a number of regtests as they were fai…
wip
Do not merge
#950
opened Jun 14, 2023 by
gtribello
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4 of 7 tasks
Added RMSD optimalAlignment GPU implementation
wip
Do not merge
#859
opened Sep 6, 2022 by
zhang954527
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5 of 7 tasks
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