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Version 1.3
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@william-dawson william-dawson released this 30 Aug 05:30
· 467 commits to master since this release
v1.3
20c1718

Version 1.3 contains a number of improvements based on the help of Victor Yu of Duke University.

New Solvers:

  • Canonical Purification of the Density Matrix
  • Higher order solvers for the Square Root

Code Quality:

  • Cmake installation script
  • Removal of directory dependencies from CMake
  • MPI Module for systems that don't support "USE MPI"
  • Git Ignore files for examples

Documentation:

  • Example of how to link to NTPoly from a Cmake project
  • Clarifications about convergence of overlap matrix vs. density matrix

Bug Fixes:

  • Process grid construction checks
  • Process grid destructor (prevent communicator leak)
  • Fixed yaml formatting bugs
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