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1320 Commits

Author SHA1 Message Date
Atsushi Togo 8b2d1dee4b Move get_dynamical_matrix from phonon.py to dynamical_matrix.py 2015-08-05 12:29:41 +09:00
Atsushi Togo 58d585e151 Change following C-API functions 2015-08-05 12:28:52 +09:00
Atsushi Togo 0bc7bd7f30 Move phonon solver from phonoc_utils.c to phonon.c 2015-08-05 12:28:18 +09:00
Atsushi Togo b83aa3f66d Move contents of phonoc_math to phonoc_utils 2015-08-05 12:27:23 +09:00
Atsushi Togo 637fbd0c2f Merge branch 'eig' of github.com:atztogo/phonopy into eig 2015-08-05 00:28:10 +09:00
Atsushi Togo fca4dd92bc Minor change 2015-08-05 00:28:00 +09:00
Atsushi Togo 1a17a1ae67 Minor change 2015-08-05 00:27:45 +09:00
Atsushi Togo 8f5d744812 Made a separate python module of _lapackepy for zheev related code 2015-08-05 00:12:16 +09:00
Atsushi Togo 58249a3edf Move zheev related code in c from anharmonic to harmonic 2015-08-04 18:04:22 +09:00
Atsushi Togo cd8d0577ad Update spgilb to version 1.8.2.1 2015-08-04 17:52:40 +09:00
Atsushi Togo 308311d462 Update pyspgilb to version 1.8.2 2015-08-03 17:39:10 +09:00
Atsushi Togo 4c9957e187 Follow the update of spglib 2015-08-02 12:48:12 +09:00
Atsushi Togo 1d67bf3a97 Update spglib to version 1.8.2 2015-08-02 11:57:26 +09:00
Atsushi Togo c45b17f211 Separate API classes into three different files 2015-08-01 10:46:29 +09:00
Atsushi Togo 7c8b3495b7 Update document for version 1.9.5 2015-07-11 10:15:53 +09:00
Atsushi Togo f175f0367b Update spglib to version 1.8.1 2015-07-11 10:02:44 +09:00
Atsushi Togo cfcfaad5e8 Use macros for numpy C-API data access 2015-07-07 10:20:11 +09:00
Atsushi Togo f98f50d66e Update spglib-1.8 2015-07-06 18:06:44 +09:00
Atsushi Togo 776b362b70 Set phonopy version 1.9.5 2015-06-29 09:42:53 +09:00
Atsushi Togo fa6b28c60d Add Elk interface document 2015-06-29 09:41:49 +09:00
Atsushi Togo cfb30b6bdd Add Elk Si example 2015-06-26 19:43:29 +09:00
Atsushi Togo 2537c55fff Small fix for elk 2015-06-26 19:37:28 +09:00
Atsushi Togo adbb2a4c90 Elk support 2015-06-26 14:42:57 +09:00
Atsushi Togo db88e5a12e Merge branch 'elk' of github.com:atztogo/phonopy into elk 2015-06-26 12:58:16 +09:00
Atsushi Togo b2e1082afb Start to implement ELK interface 2015-06-26 12:57:25 +09:00
Atsushi Togo d6c5802e5d Merge branch 'elk' of github.com:atztogo/phonopy into elk 2015-06-26 12:56:05 +09:00
Atsushi Togo 15d0c5a754 Start to implement ELK interface 2015-06-26 12:54:57 +09:00
Atsushi Togo d9727125ff Update spglib to 1.8 2015-06-25 22:04:21 +09:00
Atsushi Togo 6f36bbfa11 Minor update for document 2015-06-21 17:42:54 +09:00
Atsushi Togo 122c419cc0 Phono3py version 0.9.10.1 2015-06-18 23:59:58 +09:00
Atsushi Togo ba931cb74b Bug fix, ir-grid weights and normalization 2015-06-18 23:59:43 +09:00
Atsushi Togo 5795366ab3 Minor update 2015-06-18 23:59:03 +09:00
Atsushi Togo d108c706c9 Phono3py document update 2015-06-18 23:58:35 +09:00
Atsushi Togo 2dd104fda8 Phono3py document update 2015-06-18 00:13:29 +09:00
Atsushi Togo fc6a87e010 Example o kaccum fixed 2015-06-18 00:11:45 +09:00
Atsushi Togo 246760ef41 phono3py version 0.9.10 2015-06-17 23:43:00 +09:00
Atsushi Togo a081601fcd Minor change 2015-06-17 23:28:34 +09:00
Atsushi Togo a9f9f2f56f Merge branch 'experiment' 2015-06-17 18:48:36 +09:00
Atsushi Togo 5155b39375 Minor update of spglib 2015-06-17 17:56:03 +09:00
Atsushi Togo f0e0ca4f2f Minor update of spglib 2015-06-17 17:44:35 +09:00
Atsushi Togo ac5a5b5f7e Finish moving triplet code in phono3py from spglib 2015-06-17 16:59:02 +09:00
Atsushi Togo 05590636bd Add license information at the heads of the codes 2015-06-17 15:28:31 +09:00
Atsushi Togo 7d55885c17 q-triplets codes in spglib were moved to phonopy 2015-06-17 15:27:36 +09:00
Atsushi Togo 7c707637ca q-triplets codes in spglib were moved to phonopy 2015-06-17 15:27:10 +09:00
Atsushi Togo 7d345b5503 q-triplets codes in spglib were moved to phonopy 2015-06-17 15:26:54 +09:00
Atsushi Togo 470f6eb440 q-triplets codes in spglib were moved to phonopy 2015-06-17 15:17:37 +09:00
Atsushi Togo 57e9eb63d7 Update to spglib 1.8 2015-06-17 15:06:47 +09:00
Atsushi Togo 8c103a061f q-triplets codes in spglib were moved to phonopy 2015-06-17 15:04:29 +09:00
Atsushi Togo d4492fabaf gaccum is similar to kaccum, but for Gamma(omega_lambda) 2015-06-17 10:44:22 +09:00
Atsushi Togo 5d492eecee Bug fixed when using --pa option 2015-06-17 10:43:48 +09:00