From 66f66099a0e6684f292aa26abfa4020dfa9b68c2 Mon Sep 17 00:00:00 2001 From: Terumasa Tadano Date: Tue, 21 Nov 2017 00:57:39 +0900 Subject: [PATCH] Added descriptions of version 1.0.0 in the ChangeLog.md --- ChangeLog.md | 21 +++++++++++++++++++++ 1 file changed, 21 insertions(+) diff --git a/ChangeLog.md b/ChangeLog.md index 08e8694f..9448b89f 100644 --- a/ChangeLog.md +++ b/ChangeLog.md @@ -1,3 +1,24 @@ +# Ver. 1.0.0 (2017-11-21) + +## New + +- Self-consistent phonon calculation (``MODE = SCPH``) +- Ewald summation for the non-analytic term of the dynamical matrix (``NONANALYTIC = 3``). +- Support of the ``CLASSICAL`` option. +- Python auxiliary script for LAMMPS + +## Changes + +- P+ and P- are printed seperately in PREFIX.sps when ``SPS = 1`` +- Use C++11 standard. From this version, the C++ compiler must support the C++11 standard. +- The **anphon** code symmetrize the Born effective charges + +## Fix + +- Loosen the tolerance to detect the multiplicity of force constants. This is an important fix for low symmetry structures. +- Fixed a problem of the restart mode of ``MODE = RTA`` + + # Ver. 0.9.8 (2016-7-14) ## New