Merge branch 'release/v.0.9.6' into develop

ttadano · Sep 14, 2015 · 41350e6 · 41350e6
2 parents 2514eb2 + c2600e3
commit 41350e6
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diff --git a/ChangeLog.md b/ChangeLog.md
@@ -1,3 +1,28 @@
+# Ver. 0.9.6 (2015-09-14)
+
+## New
+
+- New option ICONST=11 for ALM which considers translational invariance algebraically
+
+- FC2XML-tag for ANPHON. Using this tag, it is now possible to employ different size of 
+   supercells for harmonic and anharmonic terms.
+
+- qe2alm.cpp in the tools/ directory which converts Quantum-ESPRESSO fc files to ALAMODE xml files.
+
+## Changes
+
+- Changed the meaning of --calc=cumulative in analyze_phonons.py. 
+   The --calc=cumulative in the previous version is now equivalent to --calc=cumulative2.
+
+- Updated tutorial
+
+## Fix
+
+- Fix bugs related to memory allocation
+
+- Fix an issue in extract.py for QE
+
+
 # Ver. 0.9.5 (2015-06-28)
 
 ## New

diff --git a/README.md b/README.md
@@ -1,5 +1,5 @@
 # ALAMODE
-* Version 0.9.5 (Beta)
+* Version 0.9.6 (Beta)
 
 - - -
 
@@ -33,7 +33,7 @@ http://alamode.readthedocs.org
 
 
 ## License
-Copyright (c) 2014 Terumasa Tadano
+Copyright (c) 2014, 2015 Terumasa Tadano
 This software is released under the MIT license. 
 For license rights and limitations, see LICENSE.txt file.
 

diff --git a/alm/alamode.cpp b/alm/alamode.cpp
@@ -33,7 +33,7 @@ ALM::ALM(int narg, char **arg)
 {
     std::cout << " +------------------------------------------------------------+" << std::endl;
     std::cout << " +                      Program ALM                           +" << std::endl;
-    std::cout << " +                           Ver. 0.9.5                       +" << std::endl;
+    std::cout << " +                           Ver. 0.9.6                       +" << std::endl;
     std::cout << " +------------------------------------------------------------+" << std::endl;
     std::cout << std::endl;
 

diff --git a/alm/writes.cpp b/alm/writes.cpp
@@ -390,7 +390,7 @@ void Writes::write_misc_xml()
     ptree pt;
     std::string str_pos[3];
 
-    pt.put("Data.ALM_version", "0.9.5");
+    pt.put("Data.ALM_version", "0.9.6");
     pt.put("Data.Fitting.DisplaceFile", files->file_disp);
     pt.put("Data.Fitting.ForceFile", files->file_force);
     pt.put("Data.Fitting.Constraint", constraint->constraint_mode);

diff --git a/anphon/gruneisen.cpp b/anphon/gruneisen.cpp
@@ -327,7 +327,7 @@ void Gruneisen::write_new_fcsxml(const std::string filename_xml, const double ch
     ptree pt;
     std::string str_pos[3];
 
-    pt.put("Data.ANPHON_version", "0.9.5");
+    pt.put("Data.ANPHON_version", "0.9.6");
     pt.put("Data.Description.OriginalXML", fcs_phonon->file_fcs);
     pt.put("Data.Description.Delta_A", double2string(change_ratio_of_a));
 

diff --git a/anphon/phonons.cpp b/anphon/phonons.cpp
@@ -47,7 +47,7 @@ PHON::PHON(int narg, char **arg, MPI_Comm comm)
     if (mympi->my_rank == 0) {
         std::cout << " +------------------------------------------------------------+" << std::endl;
         std::cout << " +                      Program ANPHON                        +" << std::endl;
-        std::cout << " +                           Ver. 0.9.5                       +" << std::endl;
+        std::cout << " +                           Ver. 0.9.6                       +" << std::endl;
         std::cout << " +------------------------------------------------------------+" << std::endl;
 
         std::cout << std::endl;

diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -62,7 +62,7 @@
 # The short X.Y version.
 version = '0.9'
 # The full version, including alpha/beta/rc tags.
-release = '0.9.5'
+release = '0.9.6'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.