mVMC ver 1.2.0 が公開されました
展開・コンパイル方法
$ tar xzvf mVMC-1.2.0.tar.gz
$ cmake mVMC-1.2.0/
$ make
機能追加
- add ctest
- add GHActions
- add blocked pfaffian calculations (by @xrq-phys)
バグフィックス
- 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
