Jon Drobny

Bug: very small vertex input to TriMesh results in panic: unwrap on None when distance_to_local_point is called

1

Issue occurred after converting vertex input to Angstroms, resulting in very small vertex list: ``` vertices = [ [-0.5, -0.5, 0.5], [0.5, -0.5, 0.5], [-0.5, 0.5, 0.5], [0.5, 0.5, 0.5],...

[bug] rare issue with planar surface binding potential in Mesh2D case

2

**Description** A handful of NaNs were produced using the following mesh with large numbers of computational ions when ions initially at the top of the mesh hit the bottom of...

**Description** In the Bohdansky formula located in scripts/formulas.py, the factor R_Rp, which is R/Rp, should instead be (R_Rp)^(-1), that is, Rp/R. **Additional context** Interestingly, for many targets this makes the...

**Is your feature request related to a problem? Please describe.** Input mode is not obvious from looking at the .toml files

This input: ``` electronic_stopping_correction_factors = [] ``` Produces the no-context error of: ``` Processing 10 ions... Initializing with 4 threads... [00:00:00][----------------------------------------][00:00:00] 0% thread 'main' panicked at src\geometry.rs:419:26: index out of...

**Description** A recent paper presented high-quality implantation distributions and reflection coefficients (in the form of deposition rates, that is, D = 1 - R) for D on Be. At low...

[question] apparent rarely occurring infinite loop at high energies for certain CPR rootfinder parameters with the combined Kr-C-Morse potential

3

There seems to be a rare event at high energies (>10 keV) for the Kr-C-Morse combined potential that causes an infinite loop. I suspect a value is going to +/-INF...

[benchmark] MD+NNP simulations of H, D, and T on Be

9

Shermukhamedov et al. have a paper out on relatively low-energy H, D, and T sputtering and reflection using MD with neural-network potentials. This could be a decent target for benchmarking...

**Description** This paper: https://iopscience.iop.org/article/10.1088/2053-1591/ace41c by Hofsäss et al. introduces a new BCA code, IMINTDYN , and performs a specific experimental validation (they call it a verification) of scattering. IMINTDYN includes...

**Description** A new paper (12/23) by P. Yu. Babenko and A. N. Zinoviev has been published with nuclear stopping powers calculated from DFT potentials. A main finding is that potentials...