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Martin Kurečka
Plumed AlphaFold
Commits
cecd1474
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Commit
cecd1474
authored
6 years ago
by
carlocamilloni
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Merge branch 'v2.4' into v2.5
parents
3cdac0d3
0c406bb3
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CHANGES/v2.4.md
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CHANGES/v2.4.md
src/analysis/Histogram.cpp
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cecd1474
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@@ -208,6 +208,7 @@ For users:
-
Updated NAMD patches to version 2.12 and 2.13. Old patches have been removed.
-
GROMACS patch for gromacs-2018.4.
-
Fixed a bug in CS2BACKBONE when using more than 2 chains
-
Fixed a threadsafety issue using forces on histograms
For developers:
-
All fixed done in version 2.3.8
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src/analysis/Histogram.cpp
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@@ -213,6 +213,7 @@ public:
void
prepareForAveraging
();
void
performOperations
(
const
bool
&
from_update
);
void
finishAveraging
();
bool
threadSafe
()
const
{
return
!
in_apply
;
}
bool
isPeriodic
()
{
return
false
;
}
unsigned
getNumberOfDerivatives
();
void
turnOnDerivatives
();
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