v1.2.0

README/簡易説明

https://github.com/issp-center-dev/mVMC/blob/master/README.md

[ 日本語 / Eng ]

リリースノート

mVMC-1.2.0.tar.gzにはマニュアルのpdfファイルが入っています。"Source code"ではなくこちらのファイルをダウンロードしてください。

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

Forum (GitHub issue)

[ 日本語 / Eng ]

Release note

Please download mVMC-1.2.0.tar.gz (NOT "Source code") because this file contains manual-pdf files

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)