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Merged
merged 57 commits into from
Nov 30, 2021
Merged

Merge dev into Main for version 1.2.0 #170

merged 57 commits into from
Nov 30, 2021

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drobnyjt
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Thank you for your contribution to rustBCA!

Before submitting this PR, please make sure you have:

  • Opened an issue
  • Referenced the relevant issue number(s) below
  • Provided a description of the changes below
  • Ensured all tests pass and added any necessary tests for new code

Fixes #169

Description

Addition of new features and many bugfixes. This includes the following:

  • Fixes to HDF5 particle input
  • Updates to RustBCA.h header for C/C++ integration.
  • Addition of particle tagging and weighting.
  • Fortran function: single ion reflection
  • Fortran function: full BCA
  • Particle distribution input (normal, uniform for now)
  • Added context to NR rootfinder and NaN tracking to support library functions

drobnyjt and others added 30 commits August 22, 2021 13:28
@drobnyjt
Added tagged BCA output. Now particles carry tags and weights through…
685b31b 
… calculation.
@drobnyjt
Updated hdf5 section with new particle data.
2893e51
@drobnyjt
small fix to hdf5 particle input.
f9549ab
@drobnyjt
Fixes to input deck - no need to have weight/tag in toml right now.
bb5c48a
@drobnyjt
Merge pull request #148 from lcpp-org/library_upgrades_particle_tagging
a16e41b 
Added tagged BCA output. Now particles carry tags and weights through…
@drobnyjt
Update to RustBCA.h.
076c1e3
@drobnyjt
Merge pull request #149 from lcpp-org/header
5e24721 
Update to RustBCA.h.
@drobnyjt
Added single ion reflection routine for compound targets.
378ffd8
@drobnyjt
Included Fortran module with interface to reflection_single_ion.
2785b4f
@drobnyjt
Added docstrings to rustbca module.
d74912e
@drobnyjt
list input for Fortran.
abe3612
@drobnyjt
Added particle tracking components.
ad530a2
@drobnyjt
Fix to tracking components.
8f2c2ec
@drobnyjt
Further fixes.
3c8c6d2
@drobnyjt
Further fixes.
327060f
@drobnyjt
Merge pull request #151 from lcpp-org/library_reflection
bf6371f 
Fortran callable functions
@drobnyjt
Updates to Fortran wrappers.
8d187d1
@drobnyjt
Merge pull request #152 from lcpp-org/library_reflection
7c33fbd 
Updates to Fortran wrappers.
@drobnyjt
Added docstring to fortran bca function.
de11897
@drobnyjt
Update Cargo.toml
862981c
@drobnyjt
New feature: particle distributions. Is backwards compatible, thanks …
b434775 
…to serde's untagged attribute, which will pattern match even if enum tags are missin.
@drobnyjt
Added more context to error message for NR rootfinder.
093a857
@drobnyjt
Merge pull request #154 from lcpp-org/input_distributions
29ecabf 
New feature: particle distributions
@drobnyjt
Added context to error when particle energy goes NaN following collis…
c16c447 
…ion.
@drobnyjt
Fix for Issue #159
9d96870
@drobnyjt
Update rustbca_compile_check.yml
5cc112e
@drobnyjt
Update setup.py
a658f1e
@drobnyjt
Another attempted fix
d84a76f 
Removes another sudo invocation
@drobnyjt
Update rustbca_compile_check.yml
2a161be
@drobnyjt
Update rustbca_compile_check.yml
3217150
drobnyjt and others added 26 commits November 18, 2021 10:03
@drobnyjt
Merge pull request #160 from lcpp-org/drobnyjt-patch-1
cf00eab 
Fix for Issue #159
@drobnyjt
Merge pull request #161 from lcpp-org/recoil_nan_error_context
a82abaf 
Added context to error when particle energy goes NaN following collis…
@drobnyjt
Add tests of fortran functions to workflow
82ec443
@drobnyjt
Update rustbca_compile_check.yml
3351bf7
@drobnyjt
Merge pull request #162 from lcpp-org/workflow-fortran-test
6e8c7f1 
Add tests of fortran functions to workflow
@drobnyjt
Update lib.rs
bca3d89
@drobnyjt
Fortran routine tests.
d2db27e
@drobnyjt
added C example to examples folder.
96462d6
@drobnyjt
Update rustbca_compile_check.yml
ca25e27
@drobnyjt
add g++ compilation of C libraries
5dca803
@drobnyjt
Update rustbca_compile_check.yml
56333cd
@drobnyjt
Update rustbca_compile_check.yml
d55f728
@drobnyjt
Made sure Python headers are installed
559ba45
@drobnyjt
Update rustbca_compile_check.yml
ed472a6
@drobnyjt
Update rustbca_compile_check.yml
25c3b1b
@drobnyjt
Update rustbca_compile_check.yml
52b23a8
@drobnyjt
Update rustbca_compile_check.yml
8af04f0
@drobnyjt
Update rustbca_compile_check.yml
f6baee7
@drobnyjt
Update rustbca_compile_check.yml
ccbad25
@drobnyjt
Update test_rustbca.f90
731c77a
@drobnyjt
Merge pull request #165 from lcpp-org/fortran_example
331c716 
Fortran example and C++ example in examples
@drobnyjt
Remove generic import from anyhow - it was overriding Ok() and breaki…
119f1e0 
…ng PyO3
@drobnyjt
Merge pull request #167 from lcpp-org/fix_error_handling
92696d5 
Remove generic import from anyhow - it was overriding Ok() and breaki…
@drobnyjt
Testing pip as python build tool instead of directly invoking setup.py.
8d7678d
@drobnyjt
Merge pull request #168 from lcpp-org/test_pip
7a50bf6 
Testing pip as python build tool instead of directly invoking setup.py.
@drobnyjt
Merge branch 'master' into dev
20ad62e
@drobnyjt
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These aren't features per se, but the following has also been added to the repository:

  • Workflow compilation and testing of C/C++ library functions and C example
  • Workflow compilation and testing of Fortran library functions, wrapper, and example
  • Workflow installation of Python bindings with pip (instead of easy_install) and test import

@drobnyjt
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Statistics in workflow (yields, reflection coefficients, etc.) look good, so I'm merging this now.

@drobnyjt drobnyjt merged commit f32afa2 into master Nov 30, 2021
@drobnyjt drobnyjt deleted the dev branch November 30, 2021 17:31
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[feature] Release next version
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@drobnyjt