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2021/12/6/ release

mVMC ver 1.2.0 is released

mVMC-1.2.0.tar.gz 

Build

$ tar xzvf mVMC-1.2.0.tar.gz
$ cmake mVMC-1.2.0/
$ make

New feature

  • add ctest
  • add GHActions
  • add blocked pfaffian calculations (by @xrq-phys)

Bug Fix

  • specify ip in calham.c and calham_real.c as shared Specify ip as OMP Shared Variable in CalHam #3
  • fix bug in calHCA1 (calculating 1-body Green functions including kinetic energy in Lanczos with complex variational parameters)
  • bug fix in fourier2k [density-density correlations]
  • bug fix for interall in UHF calculations

Forum (GitHub issue)