js850 / histogram_reweighting Goto Github PK
View Code? Open in Web Editor NEWtools for reweighting histograms from parallel tempering computations
tools for reweighting histograms from parallel tempering computations
this repository contains tools for histogram reweighting analysis Examples: combining energy histograms from parallel tempering runs to calculate heat capacity plots combining 2d histograms (energy + order parameter. Q) from parallel tempering runs to calculate free enegy plots F(Q), or average order parameter <Q(T)> combining and reweighting histograms from biased sampling runs (not implemented) ############################################################################# The idea behind how histogram reweighting can be viewed as a minimization procedure is as follows ############################################################################# from a simulation at temperature T you find the probability of finding energy E is P(E,T). We know this can be compared to the density of states n(E) as P(E,T) = n(E) exp(-E/T_i) / w_i Where w_i is a constant that is not known. The density of states is independent of temperature, so we can use it to find P(E) at any other temperature, or Z(T), etc. But our estimate of n(E) from one temperature is not very good. So we combine P(E,T) multiple simulations at different temperatures to get a better estimate of n(E). Define R the log deviation for each bin from the estimate of the density of states R(E,T_i) = log(n_F(E)) - log(w_i) - log( P(E,T_i) * exp(E/T_i) ) we want to make each R(E,T_i) as small as possible. Define an "energy" function CHI2 = sum_E sum_i P(E,T_i) * |R(E,T_i)|^2 Where each R(E,T_i) contributes weight proportional to P(E,T_i) to the sum to make sure those with better statistics are more heavily weighted. To solve the problem we find the set of {n_F(E), w_i} which minimize CHI2
A declarative, efficient, and flexible JavaScript library for building user interfaces.
๐ Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. ๐๐๐
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google โค๏ธ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.