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RustBCA
A free, open-source Binary Collision Approximation (BCA) code for ion-material interactions including sputtering, implantation, and reflection
https://github.com/lcpp-org/RustBCA/wiki
GNU General Public License v3.0
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Update rustbca_compile_check.yml
#203
drobnyjt
closed
1 year ago
0
[bug] Compile check action broken; looks like a dependency issue.
#202
drobnyjt
closed
1 year ago
0
[question] HDF5 File or Uniform Distribution
#201
mashbur4
closed
2 years ago
6
[feature] Add Bindings for layered targets
#200
drobnyjt
closed
2 years ago
1
[question] Layered targets in python bindings
#199
crivaronicolini
closed
2 years ago
6
Updating functions in rustbca.py
#198
toyofumi-yamauchi
closed
2 years ago
1
[docs] input file distributions documentation is incorrect
#197
drobnyjt
closed
2 years ago
1
[bug] length_unit in standalone code not working for "MM" or f64s
#196
drobnyjt
closed
2 years ago
2
[benchmark] EAM H on Ni low energy reflection
#195
drobnyjt
closed
2 years ago
2
Fix issue #193
#194
William8915
closed
2 years ago
0
[bug] `test_rustbca.py` cannot find other supporting modules
#193
William8915
closed
2 years ago
1
[bug] Tagged BCA C library function ignores positions input
#192
drobnyjt
closed
2 years ago
1
change len of input particle vectors to input.len in compount_tagged_…
#191
prospero-x
closed
2 years ago
0
[bug] compound_tagged_bca_list_c allocates arrays of incorrect size
#190
prospero-x
closed
2 years ago
0
Merge dev into main
#189
drobnyjt
closed
2 years ago
0
Python compound bca; minor refactors
#188
drobnyjt
closed
2 years ago
0
[feature] Make Python interface faster by avoiding calling simple_bca in a loop
#187
drobnyjt
closed
2 years ago
1
[benchmark] MD+NNP simulations of H, D, and T on Be
#186
drobnyjt
opened
2 years ago
9
[feature] Hofsäss and Stegmaier propose a BCA without surface binding energy
#185
drobnyjt
closed
2 years ago
2
[feature] Investigate LAMMPS interaction potential input files as option for interaction potentials
#184
drobnyjt
opened
2 years ago
0
[feature] Investigate x-ray production synthetic diagnostic
#183
drobnyjt
opened
2 years ago
0
Merge dev branch onto main in advance of tutorial(s)
#182
drobnyjt
closed
2 years ago
1
[feature] Major refactor to enhance code organization, potentially improve performance
#181
drobnyjt
opened
2 years ago
0
Fix pmax in free-flight path routine; see issue #179.
#180
drobnyjt
closed
2 years ago
0
[question] Possibly incorrect formula for pmax?
#179
paulromano
closed
2 years ago
3
[feature] Ambiguous naming of certain quantities
#178
drobnyjt
closed
2 years ago
1
[feature] General bindings cleanup and documentation (Fortran and C/C++)
#177
drobnyjt
closed
2 years ago
1
Add output of Python example to dev branch
#176
drobnyjt
closed
2 years ago
0
[feature] Python bindings/scripts documentation cleanup
#175
drobnyjt
closed
2 years ago
2
[feature] Python bindings validation example
#174
drobnyjt
closed
2 years ago
1
Unable to bind python on Windows
#173
cjbeers
closed
2 years ago
11
[feature] Implement Default options in input parser
#172
drobnyjt
closed
2 years ago
3
[feature] Long-term goal: GUI
#171
drobnyjt
opened
2 years ago
2
Merge dev into Main for version 1.2.0
#170
drobnyjt
closed
3 years ago
2
[feature] Release next version
#169
drobnyjt
closed
3 years ago
0
Testing pip as python build tool instead of directly invoking setup.py.
#168
drobnyjt
closed
3 years ago
0
Remove generic import from anyhow - it was overriding Ok() and breaki…
#167
drobnyjt
closed
3 years ago
0
[bug] Error handling is broken on dev branch
#166
drobnyjt
closed
3 years ago
0
Fortran example and C++ example in examples
#165
drobnyjt
closed
3 years ago
0
[bug] Fortran routine reflect_single_ion returns ion energy in J, not eV
#164
drobnyjt
closed
3 years ago
1
[feature] add compilation of Fortran wrapper to workflow
#163
drobnyjt
closed
3 years ago
0
Add tests of fortran functions to workflow
#162
drobnyjt
closed
3 years ago
0
Added context to error when particle energy goes NaN following collis…
#161
drobnyjt
closed
3 years ago
0
Fix for Issue #159
#160
drobnyjt
closed
3 years ago
0
[bug] Github workflow failing to build python bindings
#159
drobnyjt
closed
3 years ago
0
[bug] package.py does not work with spack on a clean build
#158
drobnyjt
closed
3 years ago
1
[feature] Add context to "NaN after recoil" error.
#157
drobnyjt
closed
3 years ago
0
[feature] distinguish between sputtered and reflected particles in rustbca libraries
#156
drobnyjt
closed
2 years ago
1
[bug] RustBCA interface produces NaNs when atomic numbers are input as integers, which is an easy mistake to make
#155
drobnyjt
closed
3 years ago
1
New feature: particle distributions
#154
drobnyjt
closed
3 years ago
1
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