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Updates and additions to Pt(111) adsorption correction tree #717

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Updates and additions to Pt(111) adsorption correction tree #717

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ae536ee
updating all adsorption correction nodes to include new nitrogen chem…
kirkbadger18 Apr 8, 2026
036e81b
fixing duplication bug where species at the top level of a group/node…
kirkbadger18 Apr 8, 2026
7b868dd
fixed some parents being more descriptive than children
kirkbadger18 Apr 9, 2026
b52ee4f
switching p2 to p1 where it was in error
kirkbadger18 Apr 9, 2026
f9b6635
fixed mismatch of c-1 using R instead of RHmm I get -95.03 printed ou…
kirkbadger18 Apr 9, 2026
d0f096d
trying to fix charged carbon with p0 being found
kirkbadger18 Apr 9, 2026
35b6d15
fixing R->RHmm I get -95.03 printed out from RMG for possibility of d…
kirkbadger18 Apr 9, 2026
98920e2
fixing more of the issues making C p0 c-1
kirkbadger18 Apr 10, 2026
e30382d
making some vdW correction groups more specific to prevent overlap be…
kirkbadger18 Apr 10, 2026
10d4fa0
fixing R -> RHmm I get -95.03 printed out from RMG
kirkbadger18 Apr 10, 2026
143ff89
adding more restrictions for vdW nodes
kirkbadger18 Apr 10, 2026
1cabcb2
trying putting the * on the central atom instead of surf for vdW
kirkbadger18 Apr 10, 2026
ef04238
reorganized vdw tree a little to prevent overelapping nodes
kirkbadger18 Apr 14, 2026
38181ea
Merge branch 'ReactionMechanismGenerator:main' into NOx_adscor_data
kirkbadger18 Apr 17, 2026
dd8f280
added visuals for each group
kirkbadger18 Apr 17, 2026
7e67289
removed OXOX group
kirkbadger18 Apr 17, 2026
0fa078d
moving XCHCO to the parrent node: C-XR2
kirkbadger18 Apr 17, 2026
b5576a1
removing OXOX from the tree too
kirkbadger18 Apr 17, 2026
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