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v1.3.0

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@k-ido k-ido released this 11 Oct 00:48
v1.3.0
d73d06b

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-1.3.0.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-1.3.0.tar.gz
$ cmake mVMC-1.3.0/
$ make

機能追加

  • add RBM (beta version, only for VMC calculations with complex variational parameters) #46
  • add tutorial (tentative, only in Japanese) #52
  • update calculations related to Pfaffian #32 #38
  • update StdFace to v 1.0.1 #57
  • update workflow for GitHub CI #44 #47
  • update test #63 #42
  • update greenr2k #31 #33

バグフィックス

  • fix possible bug for calculating 2-body Green functions (for example, exchange interacting) in Lanczos mode with complex variational parameters #62
  • fix bugs for measurements of 2-body Green functions in Lanczos mode #10 #5
  • update docs #58 #53 #34
  • bug fix for PairHopp term in UHF calculations #39
  • bug fix for generating initial states from UHF results when orbital.idx has OrbitalSgn indices. #55
  • fix bug of greenr2k for multiorbital systems including Kondo lattice model #30 #45
  • update OrbitalSgn of orbitalpara and orbitalgen generated by StdFace #42
  • fix bug of error message from vmcdry.out #37

Forum (GitHub issue)

[ 日本語 / Eng ]

Release note

Please download mVMC-1.3.0.tar.gz (NOT "Source code") because this file contains manual-pdf files

Build

$ tar xzvf mVMC-1.3.0.tar.gz
$ cmake mVMC-1.3.0/
$ make

New feature

  • add RBM (beta version, only for VMC calculations with complex variational parameters) #46
  • add tutorial (tentative, only in Japanese) #52
  • update calculations related to Pfaffian #32 #38
  • update StdFace to v 1.0.1 #57
  • update workflow for GitHub CI #44 #47
  • update test #63 #42
  • update greenr2k #31 #33

Bug Fix

  • fix possible bug for calculating 2-body Green functions (for example, exchange interacting) in Lanczos mode with complex variational parameters #62
  • fix bugs for measurements of 2-body Green functions in Lanczos mode #10 #5
  • update docs #58 #53 #34
  • bug fix for PairHopp term in UHF calculations #39
  • bug fix for generating initial states from UHF results when orbital.idx has OrbitalSgn indices. #55
  • fix bug of greenr2k for multiorbital systems including Kondo lattice model #30 #45
  • update OrbitalSgn of orbitalpara and orbitalgen generated by StdFace #42
  • fix bug of error message from vmcdry.out #37

Forum (GitHub issue)

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