scnc
/
phonopy
mirror of https://github.com/phonopy/phonopy.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
1,342 Commits 5 Branches 85 Tags 71 MiB
Python 86.2%
C 7.9%
Java 4.4%
C++ 1%
Shell 0.3%
Other 0.2%
Go to file
Atsushi Togo 480e3fbe59 Changes for python3 2015-11-01 12:45:43 +09:00
anharmonic Changes for python3 2015-11-01 12:45:43 +09:00
c MEASURE_R2N macro is made for measuring peformance of reciprocal_to_normal_squared_openmp by JS 2015-10-03 13:27:16 +09:00
doc Update document 2015-11-01 12:44:25 +09:00
example Minor update of siesta examples 2015-10-14 16:43:08 +09:00
example-phono3py/Si Example o kaccum fixed 2015-06-18 00:11:45 +09:00
phonopy Insert one space between numbers of numbers of respective equivalent elements in writing POSCAR 2015-11-01 12:45:43 +09:00
scripts Parts of phono3py script are moved to each methods in files. 2015-11-01 12:45:43 +09:00
test Phonopy YAML mode is created. This mode is currently just to replace VASP mode crystal structure reading by phonopy YAML crystal structure reading. 2015-08-30 11:27:40 +09:00
.gitignore Update setup.py for packaging 2013-02-07 14:56:59 +09:00
MANIFEST-phono3py.in Set version 1.9.6.1 for phonopy and 0.9.12.1 for phono3py 2015-08-18 17:53:47 +09:00
MANIFEST.in Set version 1.9.6.1 for phonopy and 0.9.12.1 for phono3py 2015-08-18 17:53:47 +09:00
README.md Include Jochym's new implementation of force constants symmetrization 2015-02-10 17:47:50 +09:00
setup.py Set phonoy version 1.10 2015-10-20 15:03:21 +09:00
setup3-mac.py anharmonic/cui is added 2015-11-01 12:45:42 +09:00
setup3.py Set phono3py version as 0.9.14 2015-10-10 10:23:40 +09:00
setup4-mac.py lapack wrapper is moved to anharmonic directory. eigenvalue solver wrapper is implemented. 2014-05-13 11:23:20 +09:00
setup4.py lapack wrapper is moved to anharmonic directory. eigenvalue solver wrapper is implemented. 2014-05-13 11:23:20 +09:00

README.md

phonopy

Phonon code For the details, see http://phonopy.sourceforge.net/