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Add reactive soft-Voronoi collective variables
CodeQL
#1777:
Pull request
#1442
synchronize by
Zhang-pchao
18m 55s
Zhang-pchao:performance/reactive-voronoi-scaling
Zhang-pchao:performance/reactive-voronoi-scaling
18m 55s
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Add reactive soft-Voronoi collective variables
CodeQL
#1776:
Pull request
#1442
synchronize by
Zhang-pchao
Action required
Zhang-pchao:performance/reactive-voronoi-scaling
Zhang-pchao:performance/reactive-voronoi-scaling
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Add reactive soft-Voronoi collective variables
CodeQL
#1775:
Pull request
#1442
synchronize by
Zhang-pchao
18m 34s
Zhang-pchao:performance/reactive-voronoi-scaling
Zhang-pchao:performance/reactive-voronoi-scaling
18m 34s
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CodeQL
CodeQL
#1774:
Scheduled
28m 3s
master
master
28m 3s
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Add reactive soft-Voronoi collective variables
CodeQL
#1773:
Pull request
#1442
opened by
Zhang-pchao
Action required
Zhang-pchao:performance/reactive-voronoi-scaling
Zhang-pchao:performance/reactive-voronoi-scaling
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View #1442
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This change fixes a bug that occurs if you use KDE with CONTACT_MAP as the input variables.
CodeQL
#1772:
Pull request
#1441
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gtribello
17m 15s
fix-kde-bug
fix-kde-bug
17m 15s
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This change fixes a bug that occurs if you use KDE with CONTACT_MAP as the input variables.
CodeQL
#1771:
Pull request
#1441
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gtribello
17m 33s
fix-kde-bug
fix-kde-bug
17m 33s
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This change fixes a bug that occurs if you use KDE with CONTACT_MAP as the input variables.
CodeQL
#1770:
Pull request
#1441
opened by
gtribello
17m 36s
fix-kde-bug
fix-kde-bug
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kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1769:
Pull request
#1436
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aalhossary
19m 6s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
19m 6s
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CodeQL
CodeQL
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master
30m 23s
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kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1767:
Pull request
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aalhossary
17m 3s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
17m 3s
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RMSD: reformulate two loops so their omp simd pragmas can be honoured…
CodeQL
#1766:
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675f720
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carlocamilloni
31m 50s
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31m 50s
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Add a patch for GROMACS 2026
CodeQL
#1765:
Pull request
#1439
opened by
aalhossary
17m 46s
Smith-Group:gromacs-2026-patch
Smith-Group:gromacs-2026-patch
17m 46s
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RMSD: reformulate two loops so their omp simd pragmas can be honoured
CodeQL
#1764:
Pull request
#1438
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18m 17s
Smith-Group:rmsd-restore-simd-vectorization
Smith-Group:rmsd-restore-simd-vectorization
18m 17s
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RMSD: reformulate two loops so their omp simd pragmas can be honoured
CodeQL
#1763:
Pull request
#1438
opened by
aalhossary
17m 21s
Smith-Group:rmsd-restore-simd-vectorization
Smith-Group:rmsd-restore-simd-vectorization
17m 21s
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PathMSDBase: drop four omp simd pragmas that cannot vectorize (#1437)
CodeQL
#1762:
Commit
e44cef6
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carlocamilloni
30m 59s
master
master
30m 59s
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PathMSDBase: drop four omp simd pragmas that cannot vectorize
CodeQL
#1761:
Pull request
#1437
opened by
aalhossary
22m 27s
Smith-Group:pathmsd-drop-dead-simd-pragmas
Smith-Group:pathmsd-drop-dead-simd-pragmas
22m 27s
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kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1760:
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#1436
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28m 4s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
28m 4s
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kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1759:
Pull request
#1436
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aalhossary
18m 40s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
18m 40s
View #1436
View workflow file
kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1758:
Pull request
#1436
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aalhossary
18m 18s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
18m 18s
View #1436
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kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1757:
Pull request
#1436
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aalhossary
18m 33s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
18m 33s
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kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1756:
Pull request
#1436
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aalhossary
17m 56s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
17m 56s
View #1436
View workflow file
kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1755:
Pull request
#1436
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18m 3s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
18m 3s
View #1436
View workflow file
kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1754:
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13m 3s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
13m 3s
View #1436
View workflow file
kenref: new module for kinetic ensemble refinement against NMR data
CodeQL
#1753:
Pull request
#1436
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aalhossary
18m 11s
Smith-Group:kenref-module-upstream
Smith-Group:kenref-module-upstream
18m 11s
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