Issue date: February 2023
Panagiotopoulos, Athanassios Z. (2023). Grand Canonical Monte Carlo Codes and Data for Lattice Chain Phase and Aggregation Behavior [Data set]. Princeton University. https://doi.org/10.34770/ykvp-8b36
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Abstract: The materials include codes and example input / output files for Monte Carlo simulations of lattice chains in the grand canonical ensemble, for determining phase behavior, critical points, and formation of aggregates.
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| # | Filename | Description | Filesize |
|---|---|---|---|
| 1 | H2T8.xlsx | Runs performed and data obtained for the H2T4 diblock chain system | 450 KB |
| 2 | H3T3_4.xlsx | Runs performed and data obtained for the (H3T3)_4 multiblock chain system | 394 KB |
| 3 | T2H8T2.xlsx | Runs performed and data obtained for the T2H8T2 triblock chain system | 1.47 MB |
| 4 | H3T3_3.xlsx | Runs performed and data obtained for the (H3T3)_3 multiblock chain system | 1.66 MB |
| 5 | H2T4.xlsx | Runs performed and data obtained for the H2T4 diblock chain system | 576 KB |
| 6 | T4H8T4.xlsx | Runs performed and data obtained for the T4H8T4 triblock chain system | 402 KB |
| 7 | inp_main.txt | Sample input file for main code | 434 Bytes |
| 8 | scr01.dat | Sample screen output file from main code when run with inp_main.txt as input | 1.24 KB |
| 9 | input_hs.dat | Sample input file to the entropy code | 7 Bytes |
| 10 | ising.dat | The 3D Ising order parameter distribution, input for entropy2 and entropy3. | 3.2 KB |
| 11 | entr2_par.dat | Parameter file for entropy2 | 187 Bytes |
| 12 | entr3_par.dat | Pameterer file for entropy3 | 132 Bytes |
| 13 | main.f90 | Main grand canonical Monte Carlo code | 57.1 KB |
| 14 | entropy.f90 | Approximate histogram combination and reweighting code | 21.9 KB |
| 15 | entropy2.f90 | Ferrenberg-Swedsen histogram combination and reweighing and critical parameter manual search code | 26.4 KB |
| 16 | entropy3.f90 | Critical parameter optimization code | 23 KB |
| 17 | README.txt | This file provides information on the contents of this dataset and instructions on the workflow to be used to generate new data. | 4.83 KB |