Skip to content

Commit

Permalink
Merge branch 'release/v.1.3.0' into develop
Browse files Browse the repository at this point in the history
  • Loading branch information
ttadano committed Oct 1, 2021
2 parents 8ed05bf + bb7213e commit 0854d2c
Show file tree
Hide file tree
Showing 8 changed files with 33 additions and 14 deletions.
13 changes: 13 additions & 0 deletions ChangeLog.md
Original file line number Diff line number Diff line change
@@ -1,3 +1,16 @@
# Ver. 1.3.0 (2021-10-01)

## Changes

- For OpenMX, displace.py now generates atomic positions in Cartesian coordinate instead of the fractional coordinate.
- Refactor the codes for future major release (This release does not change the user interface.)

## Fixes

- Fix a few bugs in the SCP class. The stability of the phonon frequency interpolation has been improved.
- Fix other minor bugs and typos in documentation and header parts of output files.


# Ver. 1.2.0 (2021-04-02)

## New features
Expand Down
2 changes: 1 addition & 1 deletion LICENSE.txt
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
The MIT License (MIT)

Copyright (c) 2014,2015,2016 Terumasa Tadano
Copyright (c) 2014 Terumasa Tadano

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
Expand Down
4 changes: 2 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@
[![License][license-image]][license-url]
[![Doc status][docs-image]][docs-url]

### Version 1.2.0
### Version 1.3.0
![alt ALAMODE](./docs/img/alamode.png)


Expand Down Expand Up @@ -89,7 +89,7 @@ http://alamode.readthedocs.io


## License
Copyright (c) 2014--2019 Terumasa Tadano
Copyright (c) 2014–2021 Terumasa Tadano
This software is released under the MIT license.
For license rights and limitations, see LICENSE.txt file.

Expand Down
4 changes: 2 additions & 2 deletions docs/source/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -57,9 +57,9 @@
# built documents.
#
# The short X.Y version.
version = '1.2'
version = '1.3'
# The full version, including alpha/beta/rc tags.
release = '1.2.0'
release = '1.3.0'

# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.
Expand Down
5 changes: 1 addition & 4 deletions docs/source/download.rst
Original file line number Diff line number Diff line change
@@ -1,12 +1,9 @@
Download
========

.. highlight:: bash


You can download the latest and previous versions of ALAMODE at http://sourceforge.net/projects/alamode .

You can also download the package from the git repository as
You can also download the package from the git repository as::

$ git clone http://github.com/ttadano/alamode.git

Expand Down
4 changes: 2 additions & 2 deletions docs/source/install.rst
Original file line number Diff line number Diff line change
Expand Up @@ -46,7 +46,7 @@ VMD may be more useful to make an animation, but it may be replaced by any other
Install using conda (recommended for non-experts)
-------------------------------------------------

.. highlight:: bash
..highlight:: bash

This option is recommended for all users who want to build working binaries.
If you want to build highly-optimized binaries using the Intel compiler and other optimized libraries,
Expand All @@ -59,7 +59,7 @@ Step 1. Preparing build tools by conda
At first, it is recommended `to prepare a conda environment
<https://conda.io/docs/user-guide/tasks/manage-environments.html#creating-an-environment-with-commands>`_ by::

% conda create --name alamode -c conda-forge python=3.7
% conda create --name alamode -c conda-forge python=3
% conda activate alamode

Here the name of the conda environment is chosen ``alamode``. The detailed
Expand Down
13 changes: 11 additions & 2 deletions docs/source/intro.rst
Original file line number Diff line number Diff line change
Expand Up @@ -69,7 +69,7 @@ License

.. |copy| unicode:: U+000A9

Copyright |copy| 2014, 2015, 2016 Terumasa Tadano
Copyright |copy| 2014–2021 Terumasa Tadano

This software is distributed under the MIT license.
See the LICENSE.txt file for license rights and limitations.
Expand All @@ -94,10 +94,19 @@ please cite the following paper as well:
Y\. Oba, T. Tadano, R. Akashi, and S. Tsuneyuki, Phys. Rev. Materials **3**\, 033601 (2019).
[`Link <https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.3.033601>`__]


Issues & Bug report
-------------------

* If you find a bug or issue related to ALAMODE, please report it at `GitHub issues <https://github.com/ttadano/alamode/issues/>`_.
* Other questions and suggestions can be posted on the `GitHub discussion page. <https://github.com/ttadano/alamode/discussions>`_

In either case, please search the previous questions and read FAQ page of this document before asking.

Acknowledgment
--------------

This project is/was partially supported by the following projects:
This project was partially supported by the following projects:

* Grant-in-Aid for Young Scientists (B) (16K17724)
* Grant-in-Aid for Scientific Research on Innovative Areas 'Materials Design through Computics: Complex Correlation and Non-Equilibrium Dynamics'. (http://computics-material.jp)
Expand Down
2 changes: 1 addition & 1 deletion include/version.h
Original file line number Diff line number Diff line change
Expand Up @@ -12,4 +12,4 @@

#include <string>

static const std::string ALAMODE_VERSION = "1.2.0";
static const std::string ALAMODE_VERSION = "1.3.0";

0 comments on commit 0854d2c

Please sign in to comment.