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Start on work on moving calculation of derivatives to apply loop for actions that pass vectors and matrices CI #2962: Pull request #1093 opened by gtribello
July 4, 2024 15:34 1h 8m 34s derivatives-from-backpropegation
derivatives-from-backpropegation
July 4, 2024 15:34 1h 8m 34s
Now turning off derivatives on forward pass through task loop when st… CI #2961: Commit b9b8969 pushed by gtribello
July 4, 2024 15:31 1h 2m 13s derivatives-from-backpropegation
derivatives-from-backpropegation
July 4, 2024 15:31 1h 2m 13s
Fixed derivatives for matrix vector multiplication when matrix is spa… CI #2960: Commit 639e810 pushed by gtribello
July 4, 2024 11:24 1h 3m 14s master
master
July 4, 2024 11:24 1h 3m 14s
Fixed derivatives for matrix vector multiplication when matrix is spa… CI #2959: Commit 639e810 pushed by gtribello
July 4, 2024 10:03 1h 1m 31s fix-sparse-matrix-store
fix-sparse-matrix-store
July 4, 2024 10:03 1h 1m 31s
Removed old-style-cast from Plumed.h CI #2958: Pull request #1090 synchronize by Iximiel
July 4, 2024 08:14 1h 2m 30s Iximiel:plumed_hCasts
Iximiel:plumed_hCasts
July 4, 2024 08:14 1h 2m 30s
Typed vector and tensor CI #2957: Pull request #1092 synchronize by Iximiel
July 3, 2024 12:51 1h 3m 2s Iximiel:typedVectorandTensor
Iximiel:typedVectorandTensor
July 3, 2024 12:51 1h 3m 2s
Typed vector and tensor CI #2956: Pull request #1092 opened by Iximiel
July 1, 2024 14:10 1h 1m 22s Iximiel:typedVectorandTensor
Iximiel:typedVectorandTensor
July 1, 2024 14:10 1h 1m 22s
Removed old-style-cast from Plumed.h CI #2955: Pull request #1090 synchronize by Iximiel
June 28, 2024 12:14 17m 55s Iximiel:plumed_hCasts
Iximiel:plumed_hCasts
June 28, 2024 12:14 17m 55s
Removed old-style-cast from Plumed.h CI #2954: Pull request #1090 synchronize by Iximiel
June 28, 2024 10:39 1h 0m 21s Iximiel:plumed_hCasts
Iximiel:plumed_hCasts
June 28, 2024 10:39 1h 0m 21s
Merge pull request #1082 from lab-cosmo/action-metatensor CI #2953: Commit 120447e pushed by GiovanniBussi
June 27, 2024 14:34 1h 1m 59s master
master
June 27, 2024 14:34 1h 1m 59s
Removed old-style-cast from Plumed.h CI #2952: Pull request #1090 synchronize by Iximiel
June 27, 2024 08:56 17m 28s Iximiel:plumed_hCasts
Iximiel:plumed_hCasts
June 27, 2024 08:56 17m 28s
Removed old-style-cast from Plumed.h CI #2951: Pull request #1090 synchronize by Iximiel
June 27, 2024 08:47 43m 48s Iximiel:plumed_hCasts
Iximiel:plumed_hCasts
June 27, 2024 08:47 43m 48s
Removed old-style-cast from Plumed.h CI #2950: Pull request #1090 opened by Iximiel
June 27, 2024 07:42 1h 2m 11s Iximiel:plumed_hCasts
Iximiel:plumed_hCasts
June 27, 2024 07:42 1h 2m 11s
Merge branch 'v2.9' CI #2949: Commit 531abd8 pushed by carlocamilloni
June 14, 2024 19:15 1h 3m 11s master
master
June 14, 2024 19:15 1h 3m 11s
gmx2024 remove unneeded files CI #2948: Commit cfbbc3d pushed by carlocamilloni
June 14, 2024 19:15 46m 34s v2.9
v2.9
June 14, 2024 19:15 46m 34s
Action for reading masses and charges from a PDB file CI #2947: Pull request #1087 synchronize by gtribello
June 14, 2024 13:43 1h 1m 41s read-mass-charge-action
read-mass-charge-action
June 14, 2024 13:43 1h 1m 41s
Added functionality to READMASSCHARGE so that you can read masses and… CI #2946: Commit 9398658 pushed by gtribello
June 14, 2024 13:43 1h 1m 25s read-mass-charge-action
read-mass-charge-action
June 14, 2024 13:43 1h 1m 25s
dynamically resolve environment variables CI #2945: Pull request #1088 opened by zhongxiang117
June 14, 2024 13:14 1h 0m 12s zhongxiang117:master
zhongxiang117:master
June 14, 2024 13:14 1h 0m 12s
Action for reading masses and charges from a PDB file CI #2944: Pull request #1087 opened by gtribello
June 14, 2024 08:13 1h 1m 18s read-mass-charge-action
read-mass-charge-action
June 14, 2024 08:13 1h 1m 18s
Fixed manual for MassChangeInput action CI #2943: Commit 24fe95a pushed by gtribello
June 13, 2024 19:46 1h 1m 27s read-mass-charge-action
read-mass-charge-action
June 13, 2024 19:46 1h 1m 27s
Added action that allows you to set the masses and charges from a PDB… CI #2942: Commit b300e57 pushed by gtribello
June 13, 2024 16:53 43m 45s read-mass-charge-action
read-mass-charge-action
June 13, 2024 16:53 43m 45s
Merge branch 'v2.9' CI #2941: Commit 2e07dd1 pushed by carlocamilloni
June 13, 2024 07:40 1h 1m 27s master
master
June 13, 2024 07:40 1h 1m 27s
changes CI #2940: Commit 5273edf pushed by carlocamilloni
June 13, 2024 07:39 45m 53s v2.9
v2.9
June 13, 2024 07:39 45m 53s
gmx2024 config added more docs CI #2939: Commit 4557203 pushed by carlocamilloni
June 13, 2024 07:37 46m 36s v2.9
v2.9
June 13, 2024 07:37 46m 36s
Ran astyle CI #2938: Commit 3c15aa7 pushed by gtribello
June 13, 2024 06:58 1h 2m 53s master
master
June 13, 2024 06:58 1h 2m 53s
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