optical-znpc / data

Commit History

C1-C4 StoBe path with 0-based 3Dmol serials
dcba584
verified

hduvallh commited on

Atlas-aligned ZnPc geometry and C1-C4 carbon_indices
3570a02
verified

hduvallh commited on

docs: Atlas + proper XYZ provenance
67f37ca
verified

hduvallh commited on

data: Atlas shortlink d/193bc0c5 for ZnPc TEY
ef1b4b8
verified

hduvallh commited on

fix: use tpznpc_0m_rotated_proper.xyz geometry
0119f0f
verified

hduvallh commited on

docs: provenance for StoBe excitation labeling
970d310
verified

hduvallh commited on

fix: map atomid 1-4 to StoBe C01-C04
a6d931e
verified

hduvallh commited on

fix: ZnPc XYZ from StoBe C01-C04 excitation centers
4d256f9
verified

hduvallh commited on

feat: package ZnPc clustering demo assets under data/
a3c3dc0
verified

hduvallh commited on