| 155a7b5 | Nick Papior Andersen | 14 July 2015, 10:17:42 UTC | Prepping for release | 14 July 2015, 10:17:42 UTC |
| d454f94 | Nick Papior Andersen | 14 July 2015, 10:50:09 UTC | bug: bugfix for dR calculation | 14 July 2015, 10:50:09 UTC |
| 62a65c8 | Nick Papior Andersen | 14 July 2015, 10:35:27 UTC | bug: fixed fdf with specific directories | 14 July 2015, 10:35:27 UTC |
| 370bf10 | Nick Papior Andersen | 14 July 2015, 08:43:41 UTC | Prepping for release | 14 July 2015, 08:43:41 UTC |
| 7faa8bd | Nick Papior Andersen | 14 July 2015, 08:37:21 UTC | enh: Added tbtrans file object | 14 July 2015, 08:37:21 UTC |
| a6d1de9 | Nick Papior Andersen | 13 July 2015, 12:07:30 UTC | Streamlined list perception of atoms | 13 July 2015, 12:07:30 UTC |
| cb237e2 | Nick Papior Andersen | 13 July 2015, 09:37:15 UTC | Prepping for release | 13 July 2015, 09:37:15 UTC |
| 2b4122e | Nick Papior Andersen | 13 July 2015, 09:37:08 UTC | enh: Mirroring can be done around atoms, and will not infer mirroring subset | 13 July 2015, 09:37:08 UTC |
| af28e68 | Nick Papior Andersen | 13 July 2015, 08:58:23 UTC | enh: added mirror function | 13 July 2015, 08:58:23 UTC |
| ebd233c | Nick Papior Andersen | 13 July 2015, 07:35:52 UTC | changed casing for get_Sile/add_Sile to lowercase More stringent API | 13 July 2015, 07:35:52 UTC |
| a859e83 | Nick Papior Andersen | 13 July 2015, 08:35:22 UTC | Change sgeom to not have subparsers | 13 July 2015, 08:35:22 UTC |
| 4b91211 | Nick Papior Andersen | 10 July 2015, 10:05:27 UTC | bug: xyz requires an extra newline for molden | 10 July 2015, 10:05:27 UTC |
| 98bba1c | Nick Papior Andersen | 10 July 2015, 07:39:33 UTC | Prepping for release | 10 July 2015, 07:39:33 UTC |
| 39220e4 | Nick Papior Andersen | 10 July 2015, 07:36:28 UTC | enh: added sgeom script Enabled tree reading of geometries in fdf files Enabled center-of mass, position, cell calculations | 10 July 2015, 07:36:28 UTC |
| 7ad0dc2 | Nick Papior Andersen | 09 July 2015, 07:53:36 UTC | Prepping for release | 09 July 2015, 07:53:36 UTC |
| 6299874 | Nick Papior Andersen | 09 July 2015, 07:53:26 UTC | enh: Added several new routines on Geometry - Add rotate_miller which enables rotating a Miller direction onto another direction - Enabled rotate to accept a degree quantity - Added swapaxes which swaps the cell, xyz axes. This enables one to swap two directions easily. - Added reverse routine which reverses the order of atoms in the geometry - added insert which inserts a geometry right before an atom, this routine does not alter the cell. - center, revert takes an optional list of atoms to operate on | 09 July 2015, 07:53:26 UTC |
| ecabbc7 | Nick Papior Andersen | 08 July 2015, 23:59:19 UTC | enh: added Geometry.center, returns mean of xyz | 08 July 2015, 23:59:19 UTC |
| 8478dea | Nick Papior Andersen | 07 July 2015, 23:00:24 UTC | Prepping for release | 07 July 2015, 23:00:24 UTC |
| 084ffdc | Nick Papior Andersen | 07 July 2015, 22:58:23 UTC | enh: API change rotate returns a new object This makes it much more useful in in-line expressions. Few corrections of comments | 07 July 2015, 22:58:23 UTC |
| 830baea | Nick Papior Andersen | 07 July 2015, 08:07:40 UTC | doc: more docs | 07 July 2015, 08:07:40 UTC |
| 71a22c7 | Nick Papior Andersen | 06 July 2015, 07:40:22 UTC | enh: enabled sc2uc to accomodate a keyword for uniq=True|False | 06 July 2015, 07:40:22 UTC |
| f954975 | Nick Papior Andersen | 06 July 2015, 07:39:47 UTC | doc: updated readme | 06 July 2015, 07:39:47 UTC |
| c1ab655 | Nick Papior Andersen | 03 July 2015, 11:14:08 UTC | Prepping for release | 03 July 2015, 11:14:08 UTC |
| aadc22f | Nick Papior Andersen | 03 July 2015, 11:13:17 UTC | enh: enabled import sids and no further Every module which are commonly used are accessed directly via the sids module import. It is no longer necessary to do explicit import of the sub-modules. | 03 July 2015, 11:13:17 UTC |
| 52aaffa | Nick Papior Andersen | 02 July 2015, 15:09:25 UTC | Prepping for release | 02 July 2015, 15:09:25 UTC |
| e09e8b5 | Nick Papior Andersen | 02 July 2015, 15:09:21 UTC | enh: changed tag.sh file | 02 July 2015, 15:09:21 UTC |
| abb0296 | Nick Papior Andersen | 02 July 2015, 13:34:55 UTC | bug: fixed finalization before writing a tb | 02 July 2015, 13:34:55 UTC |
| d26fe8b | Nick Papior Andersen | 02 July 2015, 11:26:35 UTC | Stored n_s when using set_supercell, added axyzsc for coords of supercell indices | 02 July 2015, 11:26:35 UTC |
| 5e79809 | Nick Papior Andersen | 02 July 2015, 10:35:57 UTC | Added tag.sh script | 02 July 2015, 10:36:19 UTC |
| 7b9289a | Nick Papior Andersen | 02 July 2015, 10:35:12 UTC | Prepping for release | 02 July 2015, 10:35:12 UTC |
| b49a1ba | Nick Papior Andersen | 02 July 2015, 10:34:30 UTC | enh: translate function to geometry, returns copy | 02 July 2015, 10:34:30 UTC |
| 40f54c1 | Nick Papior Andersen | 02 July 2015, 08:49:59 UTC | enh: added square graphene unit-cell Creating default structures requires the passing of the atom structure | 02 July 2015, 08:49:59 UTC |
| 990c234 | Nick Papior Andersen | 02 July 2015, 00:25:53 UTC | bug: fix for import of used class | 02 July 2015, 00:25:53 UTC |
| 0216b07 | Nick Papior Andersen | 02 July 2015, 00:11:10 UTC | bug: setup installation | 02 July 2015, 00:11:10 UTC |
| 0d911e6 | Nick Papior Andersen | 01 July 2015, 22:34:33 UTC | test: added test directory | 01 July 2015, 22:34:33 UTC |
| da81965 | Nick Papior Andersen | 01 July 2015, 22:32:08 UTC | test: added new IO tests | 01 July 2015, 22:32:08 UTC |
| db2a153 | Nick Papior Andersen | 01 July 2015, 15:04:29 UTC | travis: removal of 2.6 tests, conda does not like it | 01 July 2015, 15:04:29 UTC |
| 9b0a010 | Nick Papior Andersen | 01 July 2015, 14:51:18 UTC | bugfixes for python3 support | 01 July 2015, 14:51:18 UTC |
| 6bf6c90 | Nick Papior Andersen | 01 July 2015, 14:04:39 UTC | +travis | 01 July 2015, 14:04:39 UTC |
| e4cf644 | Nick Papior Andersen | 01 July 2015, 13:57:00 UTC | +travis | 01 July 2015, 13:57:00 UTC |
| c9b4bae | Nick Papior Andersen | 01 July 2015, 13:40:42 UTC | +travis | 01 July 2015, 13:40:42 UTC |
| dfad4b2 | Nick Papior Andersen | 01 July 2015, 13:35:37 UTC | +travis | 01 July 2015, 13:35:37 UTC |
| 97263b9 | Nick Papior Andersen | 01 July 2015, 13:32:54 UTC | test: added geom.rotate test | 01 July 2015, 13:32:54 UTC |
| 73c9e98 | Nick Papior Andersen | 01 July 2015, 13:26:57 UTC | travis: added travis test and a first nosetests | 01 July 2015, 13:26:57 UTC |
| 6182388 | Nick Papior Andersen | 01 July 2015, 12:28:36 UTC | enh: added XV file format for reading and writing | 01 July 2015, 12:28:36 UTC |
| 3688c49 | Nick Papior Andersen | 01 July 2015, 12:08:58 UTC | Added __all__ to all python files | 01 July 2015, 12:08:58 UTC |
| f926dce | Nick Papior Andersen | 01 July 2015, 12:04:21 UTC | enh: Added writing of tight-binding models Added write-out of tight-binding models Added Phonon tight-binding model with the newton corrections Smaller bug-fixes around | 01 July 2015, 12:04:21 UTC |
| 707a02f | Nick Papior Andersen | 01 July 2015, 08:04:26 UTC | enh: added GULP and TB files Added two new file reads, GULP output and TB files Streamlined a few calls for the remaining IO objects | 01 July 2015, 08:04:26 UTC |
| ca5921f | Nick Papior Andersen | 01 July 2015, 06:41:19 UTC | enh: Allowed automatic expansion of the sparsity pattern Instead of forcing the user to restart creating the TB model we expand the sparsity pattern by 10 elements on each request of an element non-existing. | 01 July 2015, 06:41:19 UTC |
| a03776f | Nick Papior Andersen | 01 July 2015, 06:23:36 UTC | changed float64 to float, fixed complex data type of sparse matrix | 01 July 2015, 06:23:36 UTC |
| befa18c | Nick Papior Andersen | 01 July 2015, 00:06:12 UTC | Added preliminary tight-binding code TODO add IO for TightBinding model | 01 July 2015, 00:06:12 UTC |
| 5382208 | Nick Papior Andersen | 01 July 2015, 00:05:07 UTC | api: Changed api for close such that close_all == close. Also changed set_supercells to set_supercell which is easier and more appropriate | 01 July 2015, 00:05:07 UTC |
| 6b04eb4 | Nick Papior Andersen | 30 June 2015, 22:02:30 UTC | bug: fixed imports to full imports We should not use relative imports | 30 June 2015, 22:02:30 UTC |
| 1a1ff78 | Nick Papior Andersen | 30 June 2015, 14:44:05 UTC | doc: removed erroneous name | 30 June 2015, 14:44:05 UTC |
| 641ac4a | Nick Papior Andersen | 30 June 2015, 14:42:39 UTC | doc: clean-up in naming | 30 June 2015, 14:42:39 UTC |
| f518e0d | Nick Papior Andersen | 30 June 2015, 14:40:35 UTC | Initial geometry release, added Atom/Geometry | 30 June 2015, 14:40:35 UTC |
