Published March 21, 2024
| Version v1.0.3
Software
Open
sulfierry/free_energy_landscape: v1.0.3
Description
We adjusted the calculate_free_energy method to consider the axis limits specified by the --xlim_inf, --xlim_sup, --ylim_inf, and --ylim_sup arguments during the contour data calculation phase. Now, the grid on which the probability density and free energy are calculated is created based on the specified limits, ensuring that contour data are generated for the entire desired visualization area.
Furthermore, a check was implemented to ensure that the specified limits are respected when plotting the free energy landscape, adjusting the plot_energy_landscape and plot_3D_energy_landscape methods to consistently apply these limits.
Files
sulfierry/free_energy_landscape-v1.0.3.zip
Files
(2.1 MB)
| Name | Size | Download all |
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md5:e53484e34761a848d042f270708be91e
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Additional details
Related works
- Is supplement to
- Software: https://github.com/sulfierry/free_energy_landscape/tree/v1.0.3 (URL)