From 9df1993e2c68e4985d0dad11996d0199b83300bd Mon Sep 17 00:00:00 2001 From: Terumasa TADANO Date: Wed, 1 May 2019 21:53:36 +0900 Subject: [PATCH] Update GhangeLog --- ChangeLog.md | 33 +++++++++++++++++++++++++++++++++ alm/alm_cui.cpp | 2 +- 2 files changed, 34 insertions(+), 1 deletion(-) diff --git a/ChangeLog.md b/ChangeLog.md index 1ea3eb50..e33d7e26 100644 --- a/ChangeLog.md +++ b/ChangeLog.md @@ -1,3 +1,36 @@ +# Ver. 1.1.0 (2019-5-1) + +## New + +- An interface to OpenMX code (contributed by Yuto Tanaka) +- Compressive sensing approach (``LMODEL = enet``) in alm code. Many new variables related to the compressive sensing are also added. See the document page for details. +- ``SPARSE`` and ``SPARSESOLVER`` tags in alm code +- ``DOS``-tag in anphon code +- A python script scph_to_qe.py that converts the result of a SCPH calculation to Quantum ESPRESSO force-constant format. + +## Changes + +- Default value of ``ICONST`` is changed to ``ICONST = 11`` +- Python scripts now work with python3 as well as python2 +- Python interface scripts are move to tools/interface +- Default values for ``MASS``- and ``ISOFACT``-tags are implemented +- Implement a sparse version of rref, which improves the performance of alm significantly. +- Performance improvements of anphon code. +- ``DFILE`` and ``FFILE`` in alm code are now deprecated. Use ``DFSET`` instead. +- ``&fitting`` field in alm is replaced with ``&optimize`` field. + +## Fix + +- Fix a minor bug in calc_damping_tetrahedron. The phonon linewidths at high temperatures and the thermal conductivityies were not affected by this minor error. In very low temperature region (< 10 K), the thermal conductivity may have been underestimated. +- Fix other minor bugs + +# Ver. 1.0.1 (2017-11-21) + +## Fix +- Fixed a minor issue in the previous version + + + # Ver. 1.0.2 (2018-1-29) ## New diff --git a/alm/alm_cui.cpp b/alm/alm_cui.cpp index 5b855537..3c64c89f 100644 --- a/alm/alm_cui.cpp +++ b/alm/alm_cui.cpp @@ -42,7 +42,7 @@ void ALMCUI::run(const int narg, std::cout << " + Program ALM +" << std::endl; std::cout << " + Ver."; std::cout << std::setw(7) << ALAMODE_VERSION; - std::cout << " +" << std::endl; + std::cout << " +" << std::endl; std::cout << " +-----------------------------------------------------------------+" << std::endl; std::cout << std::endl; #ifdef _OPENMP