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INCITE Datasets #743

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1db5fa1
add Ag111 foundation data
mjohnson541 Aug 7, 2026
b5e77b5
add Cu111 foundation data
mjohnson541 Aug 7, 2026
6c9fba7
add Ir111 foundation data
mjohnson541 Aug 7, 2026
d757224
add Ni111 foundation data
mjohnson541 Aug 7, 2026
0263f93
add Pt111 finetuned data
mjohnson541 Aug 7, 2026
12779cd
add Ru0001 foundation data
mjohnson541 Aug 7, 2026
ada983f
add description of Incite kinetics libraries
mjohnson541 Aug 7, 2026
bdab4c3
add Incite Ag111 data
mjohnson541 Aug 7, 2026
131a591
add Incite Cu111 foundation data
mjohnson541 Aug 7, 2026
05c63a1
add Incite Ir111 thermo data
mjohnson541 Aug 7, 2026
147f3b1
add Incite Ni111 thermo data
mjohnson541 Aug 7, 2026
6a4e78b
add Incite Pt111 finetuned thermo data
mjohnson541 Aug 7, 2026
5ee0240
add Incite Ru0001 thermo data
mjohnson541 Aug 7, 2026
6fe3340
add Pt111 foundation run data
mjohnson541 Aug 10, 2026
0971a3a
fix Incite Pt111_foundation kinetics
mjohnson541 Aug 12, 2026
e026225
fix incite Pt111 foundation thermo
mjohnson541 Aug 12, 2026
d527f03
add Incite Pt111 foundation 441 kinetics
mjohnson541 Aug 12, 2026
9bf6b0e
add Incite Pt111 foundation 441 data
mjohnson541 Aug 12, 2026
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1,346 changes: 1,346 additions & 0 deletions input/kinetics/libraries/Incite_Ag111_foundation_BEEF_vdW/dictionary.txt
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12,405 changes: 12,405 additions & 0 deletions input/kinetics/libraries/Incite_Ag111_foundation_BEEF_vdW/reactions.py
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1,387 changes: 1,387 additions & 0 deletions input/kinetics/libraries/Incite_Cu111_foundation_BEEF_vdW/dictionary.txt
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30,437 changes: 30,437 additions & 0 deletions input/kinetics/libraries/Incite_Cu111_foundation_BEEF_vdW/reactions.py
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1,335 changes: 1,335 additions & 0 deletions input/kinetics/libraries/Incite_Ir111_foundation_BEEF_vdW/dictionary.txt
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1,303 changes: 1,303 additions & 0 deletions input/kinetics/libraries/Incite_Ni111_foundation_BEEF_vdW/dictionary.txt
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11,929 changes: 11,929 additions & 0 deletions input/kinetics/libraries/Incite_Pt111_finetuned_BEEF_vdW/dictionary.txt
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216,593 changes: 216,593 additions & 0 deletions input/kinetics/libraries/Incite_Pt111_finetuned_BEEF_vdW/reactions.py
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13,100 changes: 13,100 additions & 0 deletions input/kinetics/libraries/Incite_Pt111_foundation_441_BEEF_vdW/dictionary.txt
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52,977 changes: 52,977 additions & 0 deletions input/kinetics/libraries/Incite_Pt111_foundation_441_BEEF_vdW/reactions.py
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13,093 changes: 13,093 additions & 0 deletions input/kinetics/libraries/Incite_Pt111_foundation_BEEF_vdW/dictionary.txt
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1,372 changes: 1,372 additions & 0 deletions input/kinetics/libraries/Incite_Ru0001_foundation_BEEF_vdW/dictionary.txt
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7,179 changes: 7,179 additions & 0 deletions input/thermo/libraries/Incite_Ag111_foundation_BEEF_vdW.py
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7,444 changes: 7,444 additions & 0 deletions input/thermo/libraries/Incite_Cu111_foundation_BEEF_vdW.py
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7,095 changes: 7,095 additions & 0 deletions input/thermo/libraries/Incite_Ir111_foundation_BEEF_vdW.py
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6,830 changes: 6,830 additions & 0 deletions input/thermo/libraries/Incite_Ni111_foundation_BEEF_vdW.py
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38,040 changes: 38,040 additions & 0 deletions input/thermo/libraries/Incite_Pt111_finetuned_BEEF_vdW.py
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41,453 changes: 41,453 additions & 0 deletions input/thermo/libraries/Incite_Pt111_foundation_441_BEEF_vdW.py
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41,308 changes: 41,308 additions & 0 deletions input/thermo/libraries/Incite_Pt111_foundation_BEEF_vdW.py
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7,295 changes: 7,295 additions & 0 deletions input/thermo/libraries/Incite_Ru0001_foundation_BEEF_vdW.py
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