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[feature] rotate_given_surface_normal should support error propagation instead of panicking

enhancementNew feature or requestNew feature or request

Status: Open.

#284 In lcpp-org/RustBCA;

· drobnyjt opened on Jun 10, 2025

[feature] replace expensive sigmoidal interpolation in morse-Kr-C potential with smoothstep or other polynomial interpolation

enhancementNew feature or requestNew feature or request

Status: Open.

#280 In lcpp-org/RustBCA;

· drobnyjt opened on Apr 24, 2025

[feature] Full-featured example with comments that demonstrates python writing of .toml input file and processing of output files

enhancementNew feature or requestNew feature or request

Status: Open.

#279 In lcpp-org/RustBCA;

· drobnyjt opened on Apr 23, 2025

[feature] General python binding for rustbca

enhancementNew feature or requestNew feature or request

Status: Open.

#277 In lcpp-org/RustBCA;

· jguterl opened on Apr 17, 2025

[bug] RustBCA should emit warning when conflicting options are active, or when input parameters conflict with input options

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#255 In lcpp-org/RustBCA;

· drobnyjt opened on Dec 16, 2024

[feature] Customizable low energy electronic stopping mode

enhancementNew feature or requestNew feature or request

Status: Open.

#232 In lcpp-org/RustBCA;

· drobnyjt opened on Jan 9, 2024

[feature] replace dependence on geo with parry2d-f64

enhancementNew feature or requestNew feature or request

Status: Open.

#222 In lcpp-org/RustBCA;

· drobnyjt opened on Jul 10, 2023

[feature] complete materials.py

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#212 In lcpp-org/RustBCA;

· drobnyjt opened on May 25, 2023

[feature] Investigate LAMMPS interaction potential input files as option for interaction potentials

enhancementNew feature or requestNew feature or request

Status: Open.

#184 In lcpp-org/RustBCA;

· drobnyjt opened on Mar 7, 2022

[feature] Major refactor to enhance code organization, potentially improve performance

enhancementNew feature or requestNew feature or request

Status: Open.

#181 In lcpp-org/RustBCA;

· drobnyjt opened on Feb 23, 2022

[feature] Long-term goal: GUI

enhancementNew feature or requestNew feature or request

Status: Open.

#171 In lcpp-org/RustBCA;

· drobnyjt opened on Dec 19, 2021

[feature] re-implement interactions as trait objects

enhancementNew feature or requestNew feature or request

Status: Open.

#132 In lcpp-org/RustBCA;

· drobnyjt opened on Apr 5, 2021