Skip to content

Commit b810a83

Browse files
authored
Update README.md
1 parent 673bd3f commit b810a83

1 file changed

Lines changed: 6 additions & 7 deletions

File tree

‎README.md‎

Lines changed: 6 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -134,6 +134,7 @@ The following features are implemented in `RustBCA`:
134134
* nonlocal (Lindhard-Scharff),
135135
* and equipartition
136136
* Biersack-Varelas interpolation is also included for electronic stopping up to ~1 GeV/nucleon. Note that high energy physics beyond electronic stopping are not included, and that Biersack-Varelas may not be as accurate as other methods.
137+
* A modified Biersack-Varelas form which includes an interpolation parameter, `c_i`, that can be used to better match available stopping data for the Bragg peak.
137138
* Biersack-Haggmark treatment of high-energy free-flight paths between collisions can be included to greatly speed up high-energy simulations (i.e., by neglecting very small angle scattering).
138139
* A wide range of interaction potentials are provided, including:
139140
* the Kr-C, ZBL, Lenz-Jensen, and Moliere universal, screened-Coulomb potentials.
@@ -157,7 +158,8 @@ The following features are implemented in `RustBCA`:
157158
* full trajectory tracking for both the incident ions and target atoms,
158159
* and many other parameters such as position of origin of sputtered particles and energy loss along trajectories.
159160
* Optionally, the code can produce energy-angle and implantation distributions when built with the `--features distributions` flag and disable space-intensive particle list output with `--features no_list_output`.
160-
* Library functions for modeling ion reflection, implantation, and sputtering in C++/C, Python, and Fortran codes.
161+
* Library functions for running RustBCA in-memory in C++/C, Python, and Fortran codes.
162+
* A seeded PRNG such that RustBCA results are exactly reproducible on any machine for any number of threads
161163

162164
## Installation
163165

@@ -170,8 +172,6 @@ cargo build --release
170172

171173
will add an executable at `target/release/`.
172174

173-
[HDF5] for particle list input has been tested on Windows, but version 1.10.6 must be used.
174-
175175
#### Manual Dependences
176176

177177
* [rustup], the [Rust] toolchain (includes `cargo`, the [Rust] package manager, `rustc`, the [Rust] compiler, and more).
@@ -182,7 +182,6 @@ will add an executable at `target/release/`.
182182

183183
#### Optional Dependencies
184184

185-
* [HDF5] libraries
186185
* For manipulating input files and running associated scripts, the following are suggested:
187186
* [Python] 3.6+
188187
* [Python] libraries: `numpy`, `matplotlib`, `toml`, `shapely`, and `scipy`.
@@ -216,9 +215,9 @@ git clone https://github.com/lcpp-org/RustBCA
216215
cd RustBCA
217216
cargo build --release
218217
```
219-
8. (Optional) Build `RustBCA` with optional dependencies, `hdf5` and/or `rcpr`:
218+
8. (Optional) Build `RustBCA` with optional dependencies such as `rcpr`:
220219
```bash
221-
cargo build --release --features cpr_rootfinder,hdf5
220+
cargo build --release --features cpr_rootfinder
222221
```
223222
9. `input.toml` is the input file - see the [Input File](https://github.com/lcpp-org/RustBCA/wiki/Standalone-Code:-Input-File) page for more information
224223
10. Run the required tests using:
@@ -284,7 +283,7 @@ Additionally, `RustBCA` accepts an input file type (one of: `0D`, `1D`, `2D`, `T
284283
```bash
285284
./RustBCA 0D /path/to/input.toml
286285
```
287-
**Warning: RustBCA defaults to the 2D triangular mesh input mode.** For more details, see [Input Files](https://github.com/lcpp-org/RustBCA/wiki/Standalone-Code:-Input-File).
286+
**Note: RustBCA defaults to the 2D triangular mesh input mode.** For more details, see [Input Files](https://github.com/lcpp-org/RustBCA/wiki/Standalone-Code:-Input-File).
288287
Also have a look at the examples on the [Wiki] to see some examples of RustBCA input files.
289288

290289
[BCA]: https://en.wikipedia.org/wiki/Binary_collision_approximation

0 commit comments

Comments
 (0)