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Timeline
09/01/11:
- 19:34 Changeset [185] by
- * Added function to obtain the KB energy from l, j.
- 19:34 Changeset [184] by
- * Had Doxygen-generated dirs ignored by SVN
- 19:29 Changeset [183] by
- * Added function to evaluate projectors. * Corrected small bug.
- 19:21 Changeset [182] by
- * Added section on how to store and access the pseudopotentials, …
- 19:12 Changeset [181] by
- * Added basic routines to access package information
- 19:11 Changeset [180] by
- * Potentials can now be evaluated directly from pspdata
- 18:46 Changeset [179] by
- * Commented cases unsupported by LibXC 1.0
- 17:07 Changeset [178] by
- * Added atomic function to get the quantum numbers of a projector. * …
- 16:48 Changeset [177] by
- * Cosmetic fixes of the build-system tests
- 16:40 Changeset [176] by
- * tuned and enhanced build-system tests
- 16:31 Changeset [175] by
- * Added basic build-system tests
- 16:26 Ticket #19 (Initial pspdata structure implementation) closed by
- fixed
- 16:25 Changeset [174] by
- * Move the pspio_pspdata structure to its own file. * Added function to …
- 16:23 Changeset [173] by
- Saved the mesh and potential in the psp_data_t struct. Continuing editing. …
- 16:09 Changeset [172] by
- * Fixed Libtool not generating shared objects
- 16:07 Changeset [171] by
- * Fixed spurious include of LibXC's header
- 15:37 Changeset [170] by
- * Fixed output arguments of mesh functions
- 15:36 Changeset [169] by
- * Temporarily removed failing files from build list
- 14:49 Ticket #24 (const attribute to input parameters) created by
- Review the source code and add a "const" attribute to all input parameters …
- 14:45 Changeset [168] by
- * Clarified the status of the imported LibXC header
- 14:44 Changeset [167] by
- * Added atomic function to get quantum numbers from a potential
- 14:43 Changeset [166] by
- * Added comparison function for quantum numbers
- 14:21 Changeset [165] by
- * Some cleaning. * Added psp_init interface.
- 12:22 Changeset [164] by
- Included stdio.h to fix compilation
- 12:22 Ticket #23 (Add methods to get KB projector for a given l, j at point r and to get KB ...) created by
- pspio_kbprojector_get(pspdata, r, l, j) pspio_kbenergy_get(pspdata, l, j)
- 12:20 Ticket #22 (Add method to get pseudopotential for a given l, j at point r.) created by
- pspio_pspotential_get(pspdata, r, l, j)
- 12:17 Changeset [163] by
- Fixed compilation problems
- 12:05 Ticket #21 (Unified naming conventions for exported headers) closed by
- fixed
- 12:03 Changeset [162] by
- * Added instruction for conditional includes
- 12:02 Changeset [161] by
- * Added fake dependencies to compile further
- 12:01 Changeset [160] by
- Added doxygen documentation for GO_BACK and NO_GO_BACK
- 12:01 Changeset [159] by
- * Fixed headers included in the wrong order
- 11:55 Changeset [158] by
- * Added discrete integration factors to mesh.
- 11:50 Changeset [157] by
- Now the interfaces are the same as the implementation functions. Some …
- 11:43 Changeset [156] by
- * Fixed includes in all source files
- 11:36 Changeset [155] by
- * Slightly adjusted instructions about config.h
- 11:31 Changeset [154] by
- * Completed instructions about header files
- 11:15 Changeset [153] by
- * Added basic instructions for the developers of Libpspio
- 10:57 Ticket #6 (Fortran support) closed by
- fixed
- 10:55 Changeset [152] by
- Changed doxyfile to be able to read txt comments files
- 10:31 Ticket #20 (Cleanly switch between internal and external LibXC headers) closed by
- fixed
- 10:30 Changeset [151] by
- Fixed compilation problems. Continuing implementing. Set as const in …
- 10:28 Ticket #7 (Implement mesh generation) closed by
- fixed
- 10:26 Changeset [150] by
- * Added function to generate mesh from parameters.
- 10:24 Changeset [149] by
- make abi header reading a bit more modular
- 10:16 Changeset [148] by
- * Added function to initialize the mesh just from an array of points: the …
- 10:12 Changeset [147] by
- Added semicolon after the MACROS
- 10:01 Changeset [146] by
- Inproved the doxygen documentation
- 09:47 Changeset [145] by
- Converted to the new error scheme
08/31/11:
- 19:11 Changeset [144] by
- * Added missing copyright headers
- 19:05 Changeset [143] by
- * Changed order of compilation.
- 19:03 Ticket #16 (Initial nlcc structure implementation) closed by
- fixed
- 19:02 Changeset [142] by
- * More doc to nlcc. * Added proper error handling to nlcc.
- 18:45 Changeset [141] by
- * Source distribution is now possible
- 18:44 Changeset [140] by
- * Simplified the inclusion of LibXC's headers
- 17:22 Ticket #21 (Unified naming conventions for exported headers) created by
- The list of exported C headers should be clearly established and strict …
- 16:59 Ticket #12 (Initial mesh structure implementation) closed by
- fixed
- 16:59 Ticket #15 (Initial potential structure implementation) closed by
- fixed
- 16:58 Ticket #18 (Initial state structure implementation) closed by
- fixed
- 16:58 Ticket #17 (Initial projector structure implementation) closed by
- fixed
- 16:57 Ticket #14 (Initial quantum numbers structure implementation) closed by
- fixed
- 16:57 Ticket #13 (Initial mesh function structure implementation) closed by
- fixed
- 16:56 Changeset [139] by
- * More doc. * More error handling. * Minor improvements and bug fixes. …
- 16:48 Ticket #3 (Create error handling systems) closed by
- fixed
- 16:37 Changeset [138] by
- * More doc. * Added function to copy mesh functions. * Fixed small bugs. …
- 16:25 Changeset [137] by
- * Allowed the seamless use of internal and external LibXC versions (closes …
- 15:57 Ticket #20 (Cleanly switch between internal and external LibXC headers) created by
- 15:53 Changeset [136] by
- * Got rid of the warnings related to pspio_error_t
- 15:43 Changeset [135] by
- * Added basic Fortran support in the build system
- 15:39 Changeset [134] by
- * More doc. * Bug fix in pspio_mesh.c
- 15:36 Changeset [133] by
- Corrected a misspeling. Continuing with read UPF
- 15:27 Changeset [132] by
- * More doc improvements. * Improvements to error handling in potential.
- 15:19 Changeset [131] by
- * More doc improvements.
- 15:10 Changeset [130] by
- * Small correction to doc.
- 15:07 Changeset [129] by
- * More documentation improvements. * Added more error handlers.
- 14:58 Changeset [128] by
- * Some improvements to documentation. * Made some names more meaningful.
- 14:43 Changeset [127] by
- Fixed the file name in the documentation
- 14:41 Changeset [126] by
- * Removed file committed by mistake.
- 14:36 Ticket #2 (Decide how to organize the pseudopotential data) closed by
- fixed
- 14:33 Ticket #19 (Initial pspdata structure implementation) created by
- Create pspdata structure and basic creation/destruction functions.
- 14:32 Ticket #18 (Initial state structure implementation) created by
- Create state structure and basic creation/destruction functions.
- 14:08 Ticket #17 (Initial projector structure implementation) created by
- Create projector structure and basic creation/destruction functions.
- 14:06 Ticket #16 (Initial nlcc structure implementation) created by
- Create nlcc structure and basic creation/destruction functions.
- 14:04 Ticket #15 (Initial potential structure implementation) created by
- Create potential structure and basic creation/destruction functions.
- 14:03 Ticket #14 (Initial quantum numbers structure implementation) created by
- Create quantum numbers structure and basic creation/destruction functions.
- 14:01 Ticket #13 (Initial mesh function structure implementation) created by
- Create mesh structure and basic creation/destruction functions.
- 13:59 Ticket #12 (Initial mesh structure implementation) created by
- Create mesh structure and basic creation/destruction functions.
- 13:57 Ticket #11 (Doxygen configuration) closed by
- fixed
- 13:56 Ticket #11 (Doxygen configuration) created by
- Implement initial support for doxygen documentation.
- 13:54 Ticket #10 (Support for ABINIT format 6) created by
- Implement parsing and writing of psp data in the ABINIT format 6.
- 13:53 Ticket #9 (Support for ABINIT format 5) created by
- Implement parsing and writing of psp data in the ABINIT format 5.
- 13:53 Ticket #8 (Support for ABINIT format 4) created by
- Implement parsing and writing of psp data in the ABINIT format 5.
- 13:51 Ticket #7 (Implement mesh generation) created by
- Add routine to generate a mesh from a set of parameters.
- 13:49 Ticket #6 (Fortran support) created by
- Add Fortran support to the build system, taking care of the linker …
- 13:49 Ticket #5 (Support for FHI98 format) created by
- Implement parsing and writing of psp data in the FHI98pp format.
- 13:48 Ticket #4 (Support for UPF format) created by
- Implement parsing and writing of psp data in the UPF format.
- 12:13 Ticket #3 (Create error handling systems) created by
- Write CPP macros to handle most common errors.
- 12:09 Changeset [125] by
- Added the no supported options in the errors.
- 11:58 Changeset [124] by
- * Had error handling macros used for states
- 11:52 Ticket #1 (Create build system) closed by
- fixed
- 11:43 Changeset [123] by
- Continuing with the read of UPF file. Implemented the new error handling
- 11:38 Changeset [122] by
- * Temporarily worked around linker selection issue
- 11:28 Changeset [121] by
- * Fixed the use of ASSERT for quantum numbers
- 11:20 Changeset [120] by
- * Refactored, enhanced and fixed error routines
- 11:13 Changeset [119] by
- renamed vars
- 11:12 Changeset [118] by
- add semicolon for handle macros
- 11:09 Changeset [117] by
- * Use of new macros. * New meshfunc functions. * Cleaning.
- 11:08 Changeset [116] by
- * Use of new macros. * Some cleaning.
- 11:06 Changeset [115] by
- Refactored error macros
- 10:33 Changeset [114] by
- pspcod 5 example file - very rare
- 10:13 Changeset [113] by
- add pspcod 4 example
- 01:40 Changeset [112] by
- error handling updates
08/30/11:
- 20:17 Changeset [111] by
- comments
- 20:14 Changeset [110] by
- added some new psp file types
- 20:09 Changeset [109] by
- compiles again
- 19:45 Changeset [108] by
- last minute HANDLE inclusions
- 19:39 Changeset [107] by
- Used assert macro for quantum numbers
- 19:38 Changeset [106] by
- * Fixed assert macro
- 19:24 Changeset [105] by
- * Added Libpspio-specific assert
- 19:09 Changeset [104] by
- Enhanced error handling macros
- 19:08 Changeset [103] by
- start adding pspcod 1 nlcc core charge style
- 18:51 Changeset [102] by
- Fixed design flaws in error handlers
- 18:18 Changeset [101] by
- compiles again
- 18:15 Changeset [100] by
- new model core types
- 17:52 Changeset [99] by
- core_dens variable name update
- 17:49 Changeset [98] by
- I had erroneously removed some src and header files
- 17:44 Changeset [97] by
- missing src file in makefile.am
- 17:43 Changeset [96] by
- more nlcc details
- 17:38 Changeset [95] by
- * Added basic error handling functions and macros
- 17:36 Changeset [94] by
- Fixed compilation problem
- 17:36 Changeset [93] by
- * Added function to copy a mesh.
- 17:29 Changeset [92] by
- Added a wavefunction struct to save the temporaly values while are read …
- 16:57 Changeset [91] by
- * Added routines to evaluate a functions and its first and second …
- 16:53 Changeset [90] by
- Deleted unnecesary Doxygen comments. These hasn't have to be documented …
- 16:42 Changeset [89] by
- Corrected little mistakes. Improved check_end_tag
- 16:37 Changeset [88] by
- * Added svn:keywords "Id" to some files.
- 16:30 Changeset [87] by
- Transformed the read to fit the new scheme of reading. Started …
- 16:26 Changeset [86] by
- * All "pspio_*_free" routines now return an error code.
- 16:19 Changeset [85] by
- nlcc ab4 function
- 16:03 Changeset [84] by
- again compiles through but complains about ersion-info libtool option
- 15:58 Changeset [83] by
- * Added missing semicolon. * Removed unused variables.
- 15:57 Changeset [82] by
- Added missing include in pspio_state.h
- 15:54 Changeset [81] by
- * Fixed build-time issues with pspio_state
- 15:48 Changeset [80] by
- * Improved NLCC structure.
- 15:39 Changeset [79] by
- start with abinit5 instead of 4
- 15:37 Changeset [78] by
- * Move nlcc types from pspio.h to pspio_nlcc.h. * Reverted some incorrect …
- 15:26 Changeset [77] by
- * Created projector structure.
- 15:21 Changeset [76] by
- start NLCC inclusion - general structures and abinit functions
- 15:13 Changeset [75] by
- * Rewrote state following new scheme.
- 15:09 Changeset [74] by
- changed name of max string length, and used for abinit header reading
- 15:03 Changeset [73] by
- * Fixed several bugs. * Split pspio.h into high-level and low-level …
- 14:41 Changeset [72] by
- * Removed potential struct definition.
- 14:22 Changeset [71] by
- * Added potential structure.
- 14:08 Changeset [70] by
- * Added meshfunc structure.
- 12:23 Changeset [69] by
- Added copy function to quantum numbers
- 12:06 Changeset [68] by
- * Name of function was incorrect.
- 12:01 Changeset [67] by
- * Not all components of the mesh were preset.
- 11:58 Changeset [66] by
- * include config.h in pspio_mesh.h
- 11:55 Changeset [65] by
- pspio_qn_free now ignores unallocated variables
- 11:55 Changeset [64] by
- * Fixed pspio_mesh_free interface.
- 11:55 Changeset [63] by
- abinit header should be readable in all cases now
- 11:53 Changeset [62] by
- * Changed mesh stuff to new scheme.
- 11:50 Changeset [61] by
- Changed to the new error code
- 11:48 Changeset [60] by
- config.h and error names changed
- 11:48 Changeset [59] by
- Separeted the read_upf into header and source file. Added also more …
- 11:44 Changeset [58] by
- * Added several error types. * Changed naming convention for error …
- 11:41 Changeset [57] by
- Rewrote quantum numbers following new scheme
- 11:18 Changeset [56] by
- started reading the UPF file. Some other doc corrections
- 10:30 Changeset [55] by
- Updated Makefile wrt qn and state
- 10:25 Changeset [54] by
- Refactored the handling of quantum numbers and states
- 10:24 Changeset [53] by
- * Changed Doxygen inout to in,out.
- 10:16 Changeset [52] by
- * Follwoing naming convention for set functions.
- 10:06 Changeset [51] by
- * Added doxygen comments to mesh stuff.
- 00:44 Changeset [50] by
- compiles, but does not link
- 00:42 Changeset [49] by
- * Added 'Id' to svn:keywords.
- 00:38 Changeset [48] by
- * Reverted accidental change.
- 00:31 Changeset [47] by
- * Replaced GPL by LGPL.
08/29/11:
- 23:56 Changeset [46] by
- missing GPL license header
- 23:54 Changeset [45] by
- added ifdefs for multiple inclusion of header files
- 18:59 Changeset [44] by
- Documented state-related routines
- 18:57 Changeset [43] by
- Wrote preliminary state-related routines
- 18:53 Changeset [42] by
- * Completed mesh_set functions.
- 18:42 Changeset [41] by
- * Added the call to Abinit init. * Defined maximun number of char per line …
- 18:36 Changeset [40] by
- * Added pspio_error.* to Makefile.am * Fixed some includes. * More work …
- 18:17 Changeset [39] by
- * Fixed structures declaration. * Added pspio_ to the name of the types.
- 18:08 Changeset [38] by
- * Moved mesh stuff to independent file.
- 17:58 Changeset [37] by
- conversion of pspxc to libxc codes
- 17:43 Changeset [36] by
- Added error code if no file format is working
- 17:30 Changeset [35] by
- corrected the pointer and called the UPF init function
- 17:00 Changeset [34] by
- Had temporary directories ignored
- 16:59 Changeset [33] by
- Filled src/Makefile.am with realistic information
- 16:56 Changeset [32] by
- Preliminary version of the init function
- 16:55 Changeset [31] by
- Had autotools-generated files ignored
- 16:46 Changeset [30] by
- Updated documentation
- 16:44 Changeset [29] by
- actual value for XC_NONE
- 16:38 Changeset [28] by
- Wrote preliminary build system
- 16:32 Changeset [27] by
- * Added file format identifiers.
- 15:59 Changeset [26] by
- * Added headers with copyright and licence info. * Set svn keywords "id".
- 15:58 Changeset [25] by
- 2 separate codes for exchange and correlations
- 15:50 Changeset [24] by
- vanilla libxccodes.h to be included, so the preprocessing is done only …
- 15:34 Changeset [23] by
- generic yes option for NLCC flag
- 15:29 Changeset [22] by
- io error and string
- 15:26 Changeset [21] by
- pspio defs for nlcc, and update to abinit header reader
- 15:23 Changeset [20] by
- * Added "nofile" error.
- 15:12 Changeset [19] by
- * Added some doxygen stuff.
- 15:06 Changeset [18] by
- * Basic error handling.
- 15:02 Changeset [17] by
- Added the skeleton of read_upf.c
- 14:52 Changeset [16] by
- Intented
- 14:42 Changeset [15] by
- Updated to fit the Doxygen documentation
- 14:21 Changeset [14] by
- added abinit header reader
- 14:21 Changeset [13] by
- updated pspio.h
- 14:20 Changeset [12] by
- * Added UPF pseudos for reference.
- 14:10 Changeset [11] by
- democratic decision
- 14:09 Changeset [10] by
- source subdirs
- 14:06 Changeset [9] by
- separate off example libxc codes code
- 14:00 Changeset [8] by
- libxc definitions
- 12:28 Changeset [7] by
- * First version of the data structures.
- 12:13 Changeset [6] by
- Updated the doxygen file to adapt it to our project
- 12:00 Changeset [5] by
- Added a preliminary doxygen configuration file
- 11:10 Changeset [4] by
- * Added libpspio outline pdf.
- 10:09 Changeset [3] by
- otherwise its not much use
08/26/11:
- 16:58 Changeset [2] by
- * Added reference material about psp formats.
08/25/11:
- 17:59 Ticket #2 (Decide how to organize the pseudopotential data) created by
- Pseudopotential data should be store in data structures. Discuss and …
- 17:57 Ticket #1 (Create build system) created by
- Include support for libtool, c, and fortran.
- 16:54 Changeset [1] by
- * Initial import.
- 15:34 WikiStart edited by
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