Timeline
03/12/10:
- 13:20 Changeset [6352] by
- I forgot to erase a useless print
03/11/10:
- 20:01 Changeset [6351] by
- *) Added option for verbose SCF output from finite-difference calculation. …
- 16:00 Changeset [6350] by
- I modified the k-points grid generation scheme: now the (full) k-p. grid …
03/09/10:
- 21:38 Changeset [6349] by
- *) Finite-difference em_resp calculations can now restart from stored …
- 03:12 Changeset [6348] by
- Some trivial capitalization and hyphenation.
03/08/10:
- 22:28 Changeset [6347] by
- *) Improved formatting *) Added push_sub's *) Changed single-letter …
- 22:05 Changeset [6346] by
- o Removed the special handling of global.F90 in src/basic/Makefile.am. Now …
03/06/10:
- 04:57 Changeset [6345] by
- *) Improved formatting *) Added push_sub's *) Fixed intent's to suppress …
- 03:38 Changeset [6344] by
- *) Improved formatting and comments *) Added push_sub's, and removed one …
03/05/10:
- 21:42 Changeset [6343] by
- The (y + z) field calculation can now be omitted in finite difference …
03/04/10:
- 01:25 Changeset [6342] by
- *) Added missing dependencies *) Removed unused parameter of rmmdiis_start …
03/03/10:
- 21:08 Changeset [6341] by
- *) Improvements to formatting, comments, output, documentation *) Changed …
- 18:04 Changeset [6340] by
- modified call to KS iteration to allow future use in td
- 06:21 Changeset [6339] by
- Fixed a mistake in test.
- 02:34 Changeset [6338] by
- *) Previous commit forgot to mention two changes: 1) The variable …
- 01:13 Changeset [6337] by
- *) Improvements to comments, formatting, output *) Removed debugging …
- 00:10 Changeset [6336] by
- *) Improvements to formatting and comments *) Changed variable …
03/02/10:
- 23:12 Changeset [6335] by
- *) The zero-field dipole is now written in restart/em_resp_fd/dipoles for …
- 15:55 Changeset [6334] by
- This is an overkill hack in order for libxc to compile with different …
- 07:33 Changeset [6333] by
- Removed some variables now unused after my reorganization of LCAO calls.
- 00:40 Changeset [6332] by
- Setting svn:ignore for directories generated if you install into the trunk …
- 00:37 Changeset [6331] by
- *) For more information to the user, finite differences em_resp prints the …
- 00:26 Changeset [6330] by
- *) Tweaks to warning messages *) Restoring the lcao_done variable: it …
- 00:21 Changeset [6329] by
- Set svn:ignore for new files being created in libxc.
03/01/10:
- 20:48 Changeset [6328] by
- *) Finite-difference em_resp calculations can now start each SCF with …
- 20:44 Changeset [6327] by
- replaced calls to scf with calls to eigensolver, fixed laplacian …
02/26/10:
- 16:37 Changeset [6326] by
- Libtools puts libxc.a in a different place…
- 16:22 Changeset [6325] by
- Stupid hack to go around buggy libtool/automake. This works in tddft.org, …
- 15:42 Changeset [6324] by
- Let's see if this fixes the compilations issues. Needless to say that it …
- 14:01 Changeset [6323] by
- Added the option to compile libxc dynamically, and a target to create …
- 03:57 Changeset [6322] by
- A few trivial changes.
02/25/10:
- 22:46 Changeset [6321] by
- *) gs, go, and unocc run modes each had their own very similar code for …
02/24/10:
- 21:32 Changeset [6320] by
- *) Changed variables to more meaningful/standard names *) Improved …
- 20:40 Changeset [6319] by
- *) Improvements to output, code formatting, comments *) Alphabetized …
- 03:14 Changeset [6318] by
- *) Changed single-letter variables *) Changed real(8) to REAL_DOUBLE: …
02/23/10:
- 19:27 Changeset [6317] by
- Specified the full criteria for the default for LCAO, as given in the …
- 16:38 Changeset [6316] by
- The LCAOStart default value is lcao_full, but the documentation mentions …
- 03:33 Changeset [6315] by
- Removed some excessive white space in variable documentation, and …
02/16/10:
- 19:52 Changeset [6314] by
- Made some type conversions explicit to suppress compiler warnings.
- 13:56 Changeset [6313] by
- Comments changed to fit the documentation
02/12/10:
- 15:01 Changeset [6312] by
- I added the possibility to turn off the subspace diagonalization that was …
02/10/10:
- 03:13 Changeset [6311] by
- I think it is more logical to speak of deallocation in error messages than …
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