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Atsushi Togo 1e85ce15d5 Rewrote many lines to check symmetry using Cartesian distance rather than difference of fractional positions. This can affect inconsistency to the previous versions in case that crystal symmetry is distorted with symmetry tolerance between previous and new effective tolerances. 2016-08-14 00:48:08 +09:00
anharmonic Rewrote many lines to check symmetry using Cartesian distance rather than difference of fractional positions. This can affect inconsistency to the previous versions in case that crystal symmetry is distorted with symmetry tolerance between previous and new effective tolerances. 2016-08-14 00:48:08 +09:00
c Rewrote many lines to check symmetry using Cartesian distance rather than difference of fractional positions. This can affect inconsistency to the previous versions in case that crystal symmetry is distorted with symmetry tolerance between previous and new effective tolerances. 2016-08-14 00:48:08 +09:00
conda Drop the py3.4 target 2016-05-12 20:33:26 +02:00
doc --fpitch option was implemented and its document update 2016-08-01 23:25:53 +09:00
example PhonopyYaml example in NaCl directory. 2016-05-26 12:26:51 +09:00
example-phono3py Minor update of phono3py API example 2016-04-16 12:02:15 +09:00
phonopy Rewrote many lines to check symmetry using Cartesian distance rather than difference of fractional positions. This can affect inconsistency to the previous versions in case that crystal symmetry is distorted with symmetry tolerance between previous and new effective tolerances. 2016-08-14 00:48:08 +09:00
scripts Update gaccum and kaccum 2016-08-08 15:10:39 +09:00
test PhonopyYaml writer is implemented. As a side effects, Atoms are replaced by PhonopyAtoms. 2016-05-26 12:25:55 +09:00
.gitignore Update setup.py for packaging 2013-02-07 14:56:59 +09:00
.travis.yml Drop the py3.4 target 2016-05-12 20:33:26 +02:00
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 Add __nanoversion__.txt to MANIFEST.txt 2016-05-12 13:44:29 +02:00
README.md Add pypi download badges. 2016-05-12 17:16:54 +02:00
__nanoversion__.txt Prepare for two-step deploynment. Update website url. 2016-05-12 13:08:41 +02:00
setup.py Trivial change 2016-05-13 15:42:36 +09:00
setup3.py Update setup3.py for OpenBLAS package of MacPorts 2016-04-30 16:18:51 +09:00

README.md

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phonopy

Phonon code. For the details, see http://atztogo.github.io/phonopy/