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166 Commits

Author SHA1 Message Date
Atsushi Togo 54250be6f8 Set version 0.9.4 2014-12-04 18:31:52 +09:00
Atsushi Togo 2e9aa71532 Change the name cutoff_mfp to boundary_mfp 2014-12-04 18:31:27 +09:00
Atsushi Togo ec7deede34 Set version as 0.9.3 2014-11-29 15:07:16 +09:00
Atsushi Togo 3edebfd7a2 Refactoring where == is replaced by is for None 2014-10-17 14:03:53 +09:00
Atsushi Togo ded1457b22 pinv_cutoff option was created 2014-10-14 15:36:18 +09:00
Atsushi Togo d675a4a3da Create FORCES_FC3 from a file containing a list of filenames 2014-10-02 00:01:59 +09:00
Atsushi Togo 08083775c8 Set version as 0.9.1 2014-10-01 14:38:11 +09:00
Atsushi Togo 32b5cc0d59 An option to transform FORCE_SETS to FORCES_FC2 is created. 2014-10-01 14:27:53 +09:00
Atsushi Togo 825c13cb86 Create Peierls model option in phono3py script 2014-09-02 16:16:58 +09:00
Atsushi Togo 9b31b58f1c JDOS with phonon occupation numbers 2014-08-19 16:22:47 +09:00
Atsushi Togo d09408c4f7 Option to extract scattering event class of imaginary part of self energy in spectrum plot 2014-07-31 17:50:06 +09:00
Atsushi Togo 8871054d86 Fix minor bug 2014-07-30 16:41:47 +09:00
Atsushi Togo ee56d3476f Version number update 2014-07-18 15:53:25 +09:00
Atsushi Togo 2258a2bb1b Minor change of output 2014-07-14 11:48:28 +09:00
Atsushi Togo 5a0e840511 Minor change of output 2014-07-12 13:16:22 +09:00
Atsushi Togo dc72c95d91 Improve display output 2014-07-08 17:44:26 +09:00
Atsushi Togo 9a25df971f Tiny change 2014-07-08 00:40:14 +09:00
Atsushi Togo d6d538ce12 Number of frequency sampling points can be specified for spectrum calculation. 2014-07-08 00:36:08 +09:00
Atsushi Togo 897d775b5b Command option choosing grid point by grid address 2014-07-07 18:20:23 +09:00
Atsushi Togo c4cb6479a3 Creating interface to translate grid address to grid point index 2014-07-07 01:09:47 +09:00
Atsushi Togo c207b03a39 Fix joint dos bug 2014-06-27 12:59:00 +09:00
Atsushi Togo 9ce31451ca Minor changes of command options and fixes of ofrce fits 2014-06-16 17:39:15 +09:00
Atsushi Togo a396f294fe Minor changes of command options 2014-06-16 11:57:48 +09:00
Atsushi Togo 270d161457 Minor renames of options and configure setting handlings 2014-06-16 00:21:57 +09:00
Atsushi Togo c6876e3235 New option of tsym_type for testing 2014-06-16 00:01:52 +09:00
Atsushi Togo d8d7808169 Minor changes of output 2014-06-10 18:27:51 +09:00
Atsushi Togo 3b0525bdb1 Replace lifetime cutoff by maximum free path 2014-06-10 18:23:30 +09:00
Atsushi Togo 6c5e0a7740 Set version as 0.8.10 2014-05-31 11:51:01 +09:00
Atsushi Togo 0a538a93a5 Mass variance parameters from database 2014-05-24 17:39:47 +09:00
Atsushi Togo ab3b9bc01e Expansion of ir-collision matrix to full matrix to solve scalar type collision matrix 2014-05-18 23:12:57 +09:00
Atsushi Togo 1ebd760cf3 Minor change 2014-05-16 11:27:00 +09:00
Atsushi Togo 55476cfaf2 Written file-IO for LBTE collision 2014-05-04 12:36:13 +09:00
Atsushi Togo 52f8a9ed0f Under the implementation of collision matrix and LBTE conductivity 2014-04-17 18:04:04 +09:00
Atsushi Togo 9f49110a62 Under the implementation of collision matrix and LBTE conductivity and version number change to 0.8.9 2014-04-16 13:36:21 +09:00
Atsushi Togo e754733320 Set version number as 0.8.3 2014-03-10 17:20:35 +01:00
Atsushi Togo 093ce36416 Minor change of statement 2014-02-23 22:36:16 +09:00
Atsushi Togo f4fc2c78ed Phonon supercell handling improved 2014-02-23 22:22:43 +09:00
Atsushi Togo 665578e1ca Handle -d --dim2 2014-02-23 00:37:48 +09:00
Atsushi Togo df16560322 Create option to create FORCE_SETS from disp_fc3.yaml 2014-02-16 18:01:02 +09:00
Atsushi Togo d295be631e Minor cleaning 2014-02-16 04:48:21 +09:00
Atsushi Togo abbeb4c1bb Minor fix to exit phono3py when only creating fc3.hdf5 2014-02-13 17:41:00 +09:00
Atsushi Togo 92c04f2aee Tetrahedron method for isotope scattering in Python 2014-02-11 15:26:25 +09:00
Atsushi Togo 7507969c05 Minor changes 2014-02-03 18:16:59 +09:00
Atsushi Togo 95791c9969 Update phonon, phono3py python interfaces 2014-02-03 00:04:37 +09:00
Atsushi Togo 678e257356 Minor update 2014-02-02 00:29:00 +09:00
Atsushi Togo 98c9471919 Separate writing supercell POSCARs and disp_fc3.yaml 2014-01-31 18:40:19 +09:00
Atsushi Togo ccfa881e43 Phono3py has become modular to be handled from __init__.py. 2014-01-30 14:26:15 +09:00
Atsushi Togo 5b6157267d Fix isotope interface in phono3py. 2014-01-29 18:55:19 +09:00
Atsushi Togo 3501d31335 Phono3py is going to be modular to be handled from __init__.py. 2014-01-29 18:35:23 +09:00
Atsushi Togo 4dcab61b31 Phono3py is going to be modular to be handled from __init__.py. 2014-01-29 18:19:24 +09:00