Timeline
05/11/07:
- 03:57 Changeset [2908] by
- I moved the function restart_look to the states module, where it belongs. …
05/10/07:
- 09:15 Changeset [2907] by
- Fixed the fixed from some minutes ago. I got confused by Fortran types and …
- 09:00 Changeset [2906] by
- This should fix last night's build error. The R_TYPE macro was used …
- 01:56 Changeset [2905] by
- I changed the "mag" component of the states data type, by a new "spin" …
05/09/07:
- 16:08 Changeset [2904] by
- Removed the help line about the -d flag as it is ignored anyway (at least …
- 15:50 Changeset [2903] by
- Some small stuff I came across: math.F90: sorting also for integers. …
- 14:46 Changeset [2902] by
- *Now* the anisotropy is *probably* correct ;) (Before the anisotry was …
- 13:56 Changeset [2901] by
- I checked the definition of the anisotropy, and it seems to be correct. I …
- 09:23 Changeset [2900] by
- This shold fix tonight's compilation problem.
- 00:32 Changeset [2899] by
- * Added sm_integrate_prod functions to the submesh module, it calculates …
05/08/07:
- 20:13 Changeset [2898] by
- * Eliminated the use of a pointer that was creating trouble (now there is …
- 17:49 Changeset [2897] by
- Some of the information which was held in the oct_t data type should be …
- 13:58 Changeset [2896] by
- This was a very annoying bug. When running spin-polarized, the average …
- 12:22 Changeset [2895] by
- Some more format issues.
- 12:16 Changeset [2894] by
- Several issues, mostly related to the filters, solved. However, the …
- 12:10 Changeset [2893] by
- A small problem with the write formats was adding extra newlines to the …
- 10:36 Changeset [2892] by
- Bug fixed. Some pointers were deallocated when they were not even …
- 02:31 Changeset [2891] by
- Solved several problems related to the use of time-dependent targets …
05/07/07:
- 18:09 Changeset [2890] by
- * Removed the sentence to avoid OpenMP in global.h, it causes problems …
- 15:17 Changeset [2889] by
- Added an oct_penalty data type that holds all penalty-related stuff, with …
- 11:15 Changeset [2888] by
- Added the base for OpenMP support, this consist of the following: * When …
- 07:59 Changeset [2887] by
- Inserted forgotten word in variable description.
05/06/07:
- 23:16 Changeset [2886] by
- Not nullifying those pointers caused some troubles in some compilers …
- 22:57 Changeset [2885] by
- Corrected the bug that prevented the optimal control module to work with …
- 19:29 Changeset [2884] by
- A lot of the input/output stuff in the optimal control module assumed the …
- 13:16 Changeset [2883] by
- Added a new data type in the optimal control module: the "control …
05/04/07:
- 19:18 Changeset [2882] by
- * Added a check for the perror function to the configure, this call is …
- 17:18 Changeset [2881] by
- Documented the DerivativesOrder? variable.
- 17:14 Changeset [2880] by
- * Removed the error message when the file can't be opened to read, because …
- 12:03 Changeset [2879] by
- * Made fftw mandatory for 2.1, because the code doesn't compile without it …
05/03/07:
- 11:56 Changeset [2878] by
- Bug fixed; laser_end was called twice which led to a segmentation fault. …
- 00:12 Changeset [2877] by
- Yet more changes in the optimal control module; a couple of minor bugs …
05/02/07:
- 00:03 Changeset [2876] by
- More re-structuring of the optimal control module.
04/30/07:
- 17:54 Changeset [2875] by
- Removed the v_old_i and v_old_f variables, which were doing nothing but …
- 11:31 Changeset [2874] by
- Moved the propagation routines in the opt_control module to its own file. …
04/29/07:
- 23:05 Changeset [2873] by
- More reorganizations of the optimal control module.
04/28/07:
- 17:10 Changeset [2872] by
- Added the percentage of total time to the profiling output.
- 13:18 Changeset [2871] by
- * The local part of the pseudopotential is also stored as a projector. …
- 07:26 Changeset [2870] by
- I added another file, opt_control_aux.F90, in an effort to reduce the …
04/27/07:
- 10:28 Changeset [2869] by
- * Fixed last night compilation errors.
04/26/07:
- 18:11 Changeset [2868] by
- The states_t variable psi_i was unnecessary and was only creating trouble. …
- 17:15 Changeset [2867] by
- * Reverted this test to the old value. I don't know why the result changed …
- 16:55 Changeset [2866] by
- * Added a routine to integrate a function represented in a submesh. * …
- 14:34 Changeset [2865] by
- More restructuring of opt_control module.
- 01:21 Changeset [2864] by
- A bug in the documentation produced a bug in the code (the input option …
- 01:10 Changeset [2863] by
- I forgot to commit the new file (sorry, this has screwed tonight's tests)
- 00:34 Changeset [2862] by
- Some re-structuring of the opt_control module, along with a couple of bug …
04/25/07:
- 14:39 Changeset [2861] by
- Changed a bit the 18-current test so that (i) it is faster, and (ii) it …
- 12:36 Changeset [2860] by
- A few little issues that were causing trouble in some setups.
- 11:45 Changeset [2859] by
- * Ifort 9.1 gives an internal compiler error with some 'pure' statements, …
04/24/07:
- 23:40 Changeset [2858] by
- This is the bug reported by Tobias, an unallocated variable is initialized …
- 21:27 Changeset [2857] by
- * The double grid routines now return the potential in a submesh. My …
- 20:10 Changeset [2856] by
- This should fix the test failure pointed out by Tobias.
04/23/07:
- 15:08 Changeset [2855] by
- *) I removed the assert in the submesh module that was failing in some …
04/22/07:
- 12:33 Changeset [2854] by
- * Now the double grid is always applied in a spherical mesh around the …
04/21/07:
- 15:52 Changeset [2853] by
- * The sparskit "interface" was a mastodon, the preprocessed code was 3000 …
04/20/07:
- 21:46 Changeset [2852] by
- * Fixed the bug in the forces found by Miguel, an array was not properly …
- 16:17 Changeset [2851] by
- * Bugfix: The resulting index was not checked before using it in the …
- 10:07 Changeset [2850] by
- One more test that had to be updated.
- 08:23 Changeset [2849] by
- * Set forces=derivate_wavefunctions as the default. In case there aren't …
- 05:47 Changeset [2848] by
- * Now the separation of the local potential is done at pseudopotential …
04/19/07:
- 14:33 Changeset [2847] by
- *) The calculation of the forces using the gradient of the …
- 11:29 Changeset [2846] by
- * Removed the possibilty of disabling the subspace diagonalization. I …
04/18/07:
- 23:54 Changeset [2845] by
- * Optimized the double grid functions and cleaned the code a bit. * …
- 21:20 Changeset [2844] by
- Finally the double grid is working properly (at least for the test I have …
- 00:48 Changeset [2843] by
- Bug fixed. A really strange bug was happening because of a bad handling …
04/17/07:
- 23:30 Changeset [2842] by
- Now the steepest descent minimization method is also applied by calling …
- 16:35 Changeset [2841] by
- Added the other minimization methods allowed by the gsl library. The code …
04/16/07:
- 16:20 Changeset [2840] by
- Reverted to the previous version of this test, which should not be …
- 16:00 Changeset [2839] by
- Sorry, I introduced this stupid bug in the previous commit.
- 15:21 Changeset [2838] by
- Some little bugs corrected; I hope this fixes some of the issues raised by …
- 14:04 Changeset [2837] by
- Bugfix. Removed the fortran_opt constant from oct-operator_prof. Thanks …
- 11:36 Changeset [2836] by
- Fixed the bound check failure discoverd by Tobias (thanks for that). It …
04/15/07:
- 14:48 Changeset [2835] by
- The results of these two test changed slightly because of my yesterday …
04/14/07:
- 22:12 Changeset [2834] by
- Now the local part of the pseudopotential is separated in long range and …
- 12:35 Changeset [2833] by
- * Added a workaround for Sun Studio Express compiler. I sent the …
04/13/07:
- 18:32 Changeset [2832] by
- As we now have so many different functions to calculate the non local …
04/12/07:
- 22:57 Changeset [2831] by
- As Xavier said, "it is quite easy to forget a conj()"... Now I think that …
- 13:38 Changeset [2830] by
- Another optimization for the forces, now both projections are calculated …
- 11:19 Changeset [2829] by
- * Optimized the calculation of the forces using the gradient of the …
04/11/07:
- 00:13 Changeset [2828] by
- * Defined filter_m as private and removed unused modules. * Several …
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