Formate families#729

Merged

JacksonBurns merged 25 commits into

mainfrom

formate_families

Jun 8, 2026

Commits on Jun 8, 2026

create new family Surface_Monodentate_to_vdW_Bidentate

bjkreitz
authored and
JacksonBurns
committed
create new family Surface_Dissociation_vdW_Bidentate

bjkreitz
authored and
JacksonBurns
committed
create new family Surface_Dissociation_vdW_Bidentate_Beta

bjkreitz
authored and
JacksonBurns
committed
create new family Surface_Abstraction_vdW_Bidentate_Beta

bjkreitz
authored and
JacksonBurns
committed
add new families to recommended.py

bjkreitz
authored and
JacksonBurns
committed
rename vdW Bidentate families to vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
adjust recommended.py to vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
TEMPORARY: set RMG_PYBRANCH: vdW_bonds

rwest
authored and
JacksonBurns
committed
Fix CI: restore env var name RMG_PY_BRANCH so requested RMG-Py branch is used

authored and
JacksonBurns
committed
fixup: Surface_Monodentate_to_vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
fixup: Surface_Abstraction_vdWBidentate_Beta

bjkreitz
authored and
JacksonBurns
committed
Surface_Dissociation_vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
fixup: Surface_Dissociation_vdWBidentate_Beta

bjkreitz
authored and
JacksonBurns
committed
new family Surface_Dissociation_vdW_to_vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
fixup: Surface_Dissociation_vdW_to_vdWBidentate and add description

bjkreitz
authored and
JacksonBurns
committed
fixup: Surface_Dissociation_vdW_to_vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
add description to Surface_Dissociation_vdWBidentate_Beta

bjkreitz
authored and
JacksonBurns
committed
add description to Surface_Abstraction_vdWBidentate_Beta

bjkreitz
authored and
JacksonBurns
committed
simplify Surface_Monodentate_to_vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
fixup: Surface_Monodentate_to_vdWBidentate groups.py

bjkreitz
authored and
JacksonBurns
committed
make Surface_Dissociation_vdW_to_vdWBidentate more restrictive

bjkreitz
authored and
JacksonBurns
committed
change group in Surface_Monodentate_to_vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
fix groups.py adjacency list for combined in Surface_Dissociation_vdW_to_vdWBidentate

bjkreitz
authored and
JacksonBurns
committed
update longdesc for Surface_Monodentate_to_vdWBidentate

kirkbadger18
authored and
JacksonBurns
committed
pseudo-revert temporary branch override (see ext)
JacksonBurns
committed

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

Formate families#729

Formate families#729
JacksonBurns merged 25 commits into
mainfrom
formate_families

Commits on Jun 8, 2026

create new family Surface_Monodentate_to_vdW_Bidentate

create new family Surface_Dissociation_vdW_Bidentate

create new family Surface_Dissociation_vdW_Bidentate_Beta

create new family Surface_Abstraction_vdW_Bidentate_Beta

add new families to recommended.py

rename vdW Bidentate families to vdWBidentate

adjust recommended.py to vdWBidentate

TEMPORARY: set RMG_PYBRANCH: vdW_bonds

Fix CI: restore env var name RMG_PY_BRANCH so requested RMG-Py branch is used

fixup: Surface_Monodentate_to_vdWBidentate

fixup: Surface_Abstraction_vdWBidentate_Beta

Surface_Dissociation_vdWBidentate

fixup: Surface_Dissociation_vdWBidentate_Beta

new family Surface_Dissociation_vdW_to_vdWBidentate

fixup: Surface_Dissociation_vdW_to_vdWBidentate and add description

fixup: Surface_Dissociation_vdW_to_vdWBidentate

add description to Surface_Dissociation_vdWBidentate_Beta

add description to Surface_Abstraction_vdWBidentate_Beta

simplify Surface_Monodentate_to_vdWBidentate

fixup: Surface_Monodentate_to_vdWBidentate groups.py

make Surface_Dissociation_vdW_to_vdWBidentate more restrictive

change group in Surface_Monodentate_to_vdWBidentate

fix groups.py adjacency list for combined in Surface_Dissociation_vdW_to_vdWBidentate

update longdesc for Surface_Monodentate_to_vdWBidentate

pseudo-revert temporary branch override (see ext)