RMG-Py release v3.2.0#2311

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sevyharris wants to merge 1052 commits intostablefrom

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Commits on May 16, 2023

Commits on May 17, 2023

Commits on May 18, 2023

developer installation instructions update, see extended description

JacksonBurns
authored and
rwest
committed
Remove redundant explanation about linking python to python-jl
rwest
committed
Rewording install instructions a bit.
rwest
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Remove the note about activating old anaconda environments.
rwest
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turn out we can't use conda-forge pyjulia, see extended desc for why

JacksonBurns
authored and
rwest
committed
add further clarifying comments for pyjulia, ncurses, and gfortran

JacksonBurns
authored and
rwest
committed
Emphasize adding RMG-Py to the PYTHONPATH.
rwest
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Dev install instructions: Switch the rmg_env to libmamba solver.
rwest
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Merge PR #2415: update installation instructions and enable CI on MacOS
rwest
authored
add threaded forward sensitivity + update comments

hwpang
authored and
JacksonBurns
committed
update comments

hwpang
authored and
JacksonBurns
committed
update gitignore to commit new notebook

hwpang
authored and
JacksonBurns
committed
Add example notebook to simulate ch4o2cat using pyRMS

hwpang
authored and
JacksonBurns
committed

Commits on May 24, 2023

Commits on May 25, 2023

Commits on Jun 2, 2023

Commits on Jun 3, 2023

Merge #2135 for halogens kinetics
rwest
authored

Commits on Jun 7, 2023

Commits on Jun 8, 2023

Commits on Jun 9, 2023

Merge PR #2452 to enable Metal, Facet, site and terrace specification in Molecule
rwest
authored

Commits on Jun 16, 2023

Merge pull request #2471 from hwpang/fix_doc
hwpang
authored

Commits on Jun 18, 2023

Commits on Jun 20, 2023

Commits on Jun 21, 2023

Commits on Jun 22, 2023

Commits on Jun 23, 2023

Merge pull request #2454 from ReactionMechanismGenerator/output_species
rwest
authored

Commits on Jun 28, 2023

minor changes to CI to fix resuable workflow

JacksonBurns
authored and
mjohnson541
committed
fix logic for running either on RMG-Py or with reusable

JacksonBurns
authored and
mjohnson541
committed

Commits on Jul 2, 2023

add functionality for constant species in Reactor classes

mjohnson541
authored and
rwest
committed
For surface species calculate solvent correction from the saturated desorbed species

mjohnson541
authored and
rwest
committed
added `max_surface_bond_order` constraint

davidfarinajr
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rwest
committed
fix bug with max_surface_sites specification

mjohnson541
authored and
rwest
committed
handle case when symbol is in all caps

mjohnson541
authored and
rwest
committed
make it possible to explicitly forbid molecules and groups in the input file

mjohnson541
authored and
rwest
committed
fig adjacencyListGroup in input

mjohnson541
authored and
rwest
committed

Commits on Jul 14, 2023

Commits on Jul 15, 2023

Merge pull request #2491 from rwest/matt
rwest
authored

Commits on Jul 21, 2023

Commits on Jul 22, 2023

Commits on Jul 23, 2023

Commits on Jul 26, 2023

Don't replace PDep kinetics of a library reaction

alongd
authored and
mjohnson541
committed

Commits on Jul 31, 2023

remove reusable workflow logic, make RMG_DATABSE_BRANCH file-scoped
JacksonBurns
committed

Commits on Aug 1, 2023

Merge PR #2512 to remove reusable workflow logic from CI workflow
rwest
authored

Commits on Aug 2, 2023

Commits on Aug 3, 2023