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ttadano committed May 1, 2019
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33 changes: 33 additions & 0 deletions ChangeLog.md
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# 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
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2 changes: 1 addition & 1 deletion alm/alm_cui.cpp
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Expand Up @@ -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
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