v1.6.1

• New Features
  • Support PCM ISWIG surface discretization method
• Improvements
  • Optimize memory usage for TDDFT gradients and NACV
  • Change the default solvent to water for SMD model
• Fixes
  • Bug in batch processing for density fitting deriviatives
  • Wrong sign for external field
  • NLC dimension error for TDUKS
  • PCM finds wrong radius of ECP atoms
  • Fix int3c2e J-engine due to an inplace overwritten bug
  • Fix to_cpu interface for SMD solvent model