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Martin Kurečka
Plumed AlphaFold
Commits
014adc16
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Commit
014adc16
authored
9 years ago
by
Giovanni Bussi
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Fixed ref
MULTICOLVARDENS is not present in 2.1
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549a9a47
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014adc16
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@@ -235,7 +235,7 @@ For users:
processors per replica.
- Small change in numerical accuracy of lattice reduction. Should be more
robust when running with highly optimizing compilers.
- Fixed a bug in normalisation of kernel functions. This affects \ref HISTOGRAM
and \ref MULTICOLVARDENS
- Fixed a bug in normalisation of kernel functions. This affects \ref HISTOGRAM
If these actions were used with previous versions of the code care should be taken when analysing the
results.
- Fixed a bug in derivatives of kernel functions with non-diagonal covariances. This affects the
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