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CH2I2/CH2I data for stdsuite - #526

Merged

loriab merged 4 commits into

MolSSI:masterfrom

loriab:stdsuite_ecp

Oct 16, 2026

Merged

CH2I2/CH2I data for stdsuite#526
loriab merged 4 commits into
MolSSI:masterfrom
loriab:stdsuite_ecp

Commits on Oct 7, 2026
- stdsuite: ECP systems ch2i2 (closed) / ch2i (open) with def2-svp
  
  loriab
  and
  claude
  committed
  0be7c86
- stdsuite: recompute ECP refs (ch2i2/ch2i def2-svp) with fixed Libecpint
  
  loriab
  and
  claude
  committed
  72b5316
Commits on Oct 8, 2026
- stdsuite refs: ECP DF-HF hessians (rhf ch2i2, uhf ch2i) from analytic
  
  loriab
  and
  claude
  committed
  2863343
Commits on Oct 16, 2026
- format
  loriab
  committed
  8846d9b