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Merge branch 'corr' of github.com:danijoo/WHAM into corr
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@@ -12,10 +12,10 @@ from umbrella sampling simulations. For more details on the method, I suggest *R
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Features
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Features
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---
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---
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- Fast, especially for small systems
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- Fast, especially for small systems
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- Multithreaded
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- Multithreaded (automatically runs on all available cores)
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- Multidimensional
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- Multidimensional (any number of collective variables are possible)
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- Autocorrelation to remove correlated samples
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- Autocorrelation to remove correlated samples
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- Error analysis
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- Error analysis via bootstrapping
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- Unit tested
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- Unit tested
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Installation
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Installation
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@@ -158,7 +158,6 @@ The example folder contains input and output files for two simple test systems:
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TODO
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TODO
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---
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- Autocorrelation
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- Replica exchange
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- Replica exchange
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License & Citing
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License & Citing
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