[pull] develop from lammps:develop#94
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pull[bot] merged 53 commits intocomphy-lab:developfrom Feb 7, 2026
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MDF taper function for smooth termination of Coulomb integrals (same as used in GULP)
Adding smooth taper to Coulomb integrals, allowing calculations using wolf and dsf.
Adding smooth taper to Coulomb integrals.
Added function mdftaper()
mdftaper() moved into math_special
mdftaper() moved into math_special
Removed trailing spaces, converted tabs to spaces
Removed trailing spaces, converted tabs to spaces
Example of using the Streitz-Mintmire model for GaN with smooth termination of charge transfer at the cutoff.
tersoff/mod potential for GaN with charge equilibration using the Streitz-Mintmire model
Documentation on new options for specifying taper widths to smooth terminate Coulomb integrals when calculating electrostatic interactions.
Updated documentation - usage of optional arguments wolf and dsf and user-defined taper width to smoothly terminate Coulomb integrals.
Extension of pair coul/streitz to include smooth taper at the cutoff, GaN as an example.
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Smooth termination of Coulomb integrals in the Streitz-Mintmire method
Small updates and patches to GRANULAR and RHEO
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