optical-znpc / data /geometry

Commit History

15 days ago

  1. C1-C4 StoBe path with 0-based 3Dmol serials

    Verified signature
    dcba584
  2. Atlas-aligned ZnPc geometry and C1-C4 carbon_indices

    Verified signature
    3570a02
  3. fix: use tpznpc_0m_rotated_proper.xyz geometry

    Verified signature
    0119f0f
  4. fix: map atomid 1-4 to StoBe C01-C04

    Verified signature
    a6d931e
  5. fix: ZnPc XYZ from StoBe C01-C04 excitation centers

    Verified signature
    4d256f9
  6. feat: package ZnPc clustering demo assets under data/⁠

    Verified signature
    a3c3dc0