Commits

Commits on Jul 30, 2024

add option of drawing reactions with reversible arrow

sevyharris
authored and
rwest
committedJul 30, 2024

Commits on Jul 25, 2024

Merge pull request #2691 from hwpang/arkane/scratch
sevyharris
committedJul 25, 2024

Commits on Jul 12, 2024

Use the input scratch dir
hwpang
committedJul 12, 2024
Allow scratch dir as input
hwpang
committedJul 12, 2024

Commits on Jun 18, 2024

Merge pull request #2663 from ReactionMechanismGenerator/external_kin_lib
JacksonBurns
committedJun 18, 2024

Commits on Jun 16, 2024

Commits on Jun 15, 2024

force make to use gcc and g++ compilers
JacksonBurns
committedJun 15, 2024
switch multiple rmg packages to their official versions
JacksonBurns
committedJun 15, 2024

Commits on Jun 14, 2024

Merge pull request #2682 from ReactionMechanismGenerator/fix/Pc_joback_updates
jonwzheng
committedJun 14, 2024
update expected sigma value
JacksonBurns
committedJun 14, 2024
fix expected critical pressure
JacksonBurns
committedJun 14, 2024

Commits on Jun 12, 2024

Merge pull request #2662 from ReactionMechanismGenerator/pdep_fit_reverse
hwpang
committedJun 12, 2024

Commits on Jun 11, 2024

Send P in SI units to Chebyshev.fit_to_data() when reversing a rate
alongd
committedJun 11, 2024

Commits on Jun 9, 2024

Merge pull request #2595 from donerancl/gaussian_regex
JacksonBurns
committedJun 9, 2024
temporarily remove minimal_surface regression test
JacksonBurns
committedJun 9, 2024
pass the token through with the correct variable name
JacksonBurns
committedJun 9, 2024

Commits on Jun 7, 2024

Apply suggestions from code review

JacksonBurns
and
hwpang
committedJun 7, 2024
remove duplicate lines raising error

donerancl
authored and
JacksonBurns
committedJun 7, 2024
squash

donerancl
authored and
JacksonBurns
committedJun 7, 2024
Merge pull request #2669 from JacksonBurns/fix/ci_downloadv4
JacksonBurns
committedJun 7, 2024
github actions CI maintainence
JacksonBurns
committedJun 7, 2024

Commits on May 17, 2024

Merge pull request #2661 from rwest/debugdatabase
JacksonBurns
committedMay 17, 2024

Commits on May 15, 2024

Better debugging messages for database errors.
rwest
committedMay 15, 2024

Commits on May 10, 2024

Merge pull request #2658 from sevyharris/thermo_allzeros_identical
hwpang
committedMay 10, 2024

Commits on May 9, 2024

add a check for all zeros in thermo comparison
sevyharris
committedMay 9, 2024

Commits on May 7, 2024

Merge pull request #2656 from sevyharris/diffmodels_surf_regression_patch
JacksonBurns
committedMay 7, 2024

Commits on May 5, 2024

turn edge species on for regression comparison
sevyharris
committedMay 5, 2024
add workaround to check for surface files if calling function assumed gas-phase
sevyharris
committedMay 5, 2024

Commits on Apr 30, 2024

Merge pull request #2514 from sevyharris/catalytic_combustion_example
JacksonBurns
committedApr 30, 2024

Commits on Apr 26, 2024

add input files for surface combustion test and example
sevyharris
committedApr 26, 2024
update CI workflow to include surface regression test
sevyharris
committedApr 26, 2024