4 # The contents of this file are subject to the terms of the Common Development
5 # and Distribution License Version 1.0 (the "License").
7 # You can obtain a copy of the license at
8 # http://www.opensource.org/licenses/CDDL-1.0. See the License for the
9 # specific language governing permissions and limitations under the License.
11 # When distributing Covered Code, include this CDDL HEADER in each file and
12 # include the License file in a prominent location with the name LICENSE.CDDL.
13 # If applicable, add the following below this CDDL HEADER, with the fields
14 # enclosed by brackets "[]" replaced with your own identifying information:
16 # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved.
22 # Copyright (c) 2013--2019, Regents of the University of Minnesota.
23 # All rights reserved.
31 # Release: This file is part of the kim-api-2.1.0 package.
35 === kim-api-2.1.0 =============== 16Jul2019 ====================================
37 * Added new KIM::SimulatorModel interface providing programatic support to
38 simulators for packaging of parameter files, input commands, and metadata
39 necessary to run a simulator's native potentials.
41 * Added new KIM::Collections interface (and the supporting extensible
42 enumerations KIM::Collection and KIM::CollectionItemTypes) providing
43 programatic access to the KIM API Collections and its configuration settings.
44 (This included a refactor and removal of old_KIM_API_DIRS.*.)
46 * Convert from old 'models' to 'portable-models' nomenclature for KIM API
47 collections, including environment variables, configuration file, etc. (For
48 backward compatibility, the old configuration file format is still accepted.)
50 * Added support for Metadata files to (internal) KIM::SharedLibrary and
51 programatic access to these files from the new KIM::Collections interface.
53 * Automatically add standard openkim.org metadata files (kimspec.edn,
54 kimprovenance.edn, and kimcite-*.bib) to an item's shared library if they
57 * Significant documentation updates to describe the new interfaces as well as
58 changing to the the Portable Model (PM) and Simulator Model (SM) terminology.
60 * Added explicit documentation of Fortran interfaces for routines called by the
61 KIM API (ModelCreate, ModelDestroy, GetNeighborList, etc.).
63 * Added mention of "Toy Models" to documentation.
65 * Added data-type error checking for Portable Model parameter get/set routines;
66 Thanks to Daniel Schopf.
68 * Bug fixes and improvements to kim-api-collections-management script
70 * Added support for Include-What-You-Use (IWYU).
72 * Added (internal) copy of edn-cpp parser for use with SMs.
74 * Updated existing examples as necessary and added SM example.
76 * Added new "unit-test" examples of simulators using the Collections and SM
79 * Improvement to pkgconfig support; Thanks to Christoph Junghans.
81 * Added new tests to CI, based on INSTALL file.
83 * Updates create-package script and added run-cmds-from-install script.
85 * Added .clang-format-hook-ignore file and mechanism (specifically for edn-cpp).
87 * Updates to better support binary installation on various systems.
89 * Added CDDL headers to files that did not have them.
92 === kim-api-2.0.2 =============== 28Mar2019 ====================================
94 * Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
95 open source conventions
97 * Added a simulator model example
99 * Refactored support for simulator models: separated from models in collections.
100 Updated collections-management utility appropriately
102 * Updated calls to scanf() for better security
104 * Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
106 * Added build options to set system collection directories
108 * Added support for colon-separated list of directories for user and system
111 * Added '--version' flag to utilities
113 * Update bash completion to work with old and new bash
115 * Improve robustness of creat-package script
117 * Updated badges to point to 'devel' branch & create-package to change to
118 'master' branch for release commit
120 * Added coverity & codecov badges to README.md
122 * Added vX.Y.Z-git tags to git repo and updated create-package script
124 * Added NEWS file to Doxygen documentation & updated doxygen settings
126 * Improved version build metadata string using "git describe"
128 * Updated link flags for codecov
131 === kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
133 * Fix bug in KIM::SemVer::ParseSemVer()
135 * Various minor fixes to address issues identified by Coverity Scan
137 * Fix version string in libkim-api-v2.pc to conform to RPM schema
139 * Added advanced CMake options for compilers used to build items after install
141 * Added item install prefix CMake variables to cache; helps with packaging
143 * Remove dead code in top level CMakeLists.txt
146 === kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
148 * Update main documentation.
150 * Added function level documentation with cross-references and input/output
151 argument descriptions.
153 * Added Known() member function to extensible enumerations.
155 * Extensible enumeration default constructors now create uninitialized objects.
157 * Rename C++ *.String() routines to *.ToString.
159 * Added 'recursive' to all Fortran routines (for better thread safety).
161 * Added support files for readthedocs.
163 * Additions and fixes for collections-management utility.
165 * Travis CI configuration updates.
167 * Avoid some compiler warnings from clang.
169 * Various CMake fixes/adjustments.
171 * Various bug fixes in api code.
174 === kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
176 * Updated and added examples to work with and demonstrate api changes/additions
178 * Implemented new KIM::Model::IsRoutinePresent interface to facilitate
179 backward compatibility
181 * Updated SpeciesName entries for recently renamed periodic table elements
183 * Added WriteParameterizedModel Routine and assoc. code
185 * Added Extension Routine to allow for non-standard extensions
187 * Added Push/Pop Default Verbosity to KIM::Log
189 * Changed Release default LogVerbosity to INFORMATION
191 * Added ctest test for items to check that shared libraries can be opened
193 * Improvements to Collections-Management behavior
195 * Removed unnecessary header files
197 * Updated travis.ci configuration
199 * Refactored some backend implementation to improve maintainability, including
200 significant new KIM_SharedLibrarySchema interface
202 * Improvements to CMake build system
204 * Updated create-package script
206 * Updated documentation
209 === kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
211 * CMake build and test replaces custom Makefiles; added travis, gitlab CI
212 A big thank you to Richard Berger and Christoph Junghans for their major
213 contribution in getting the KIM API package converted to CMake.
215 * Using standard pkg-config setup instead of custom kim-api-v2-build-config
217 * Major restructuring of the Fortran bindings.
219 * Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
221 * Add Model routine and callback prototypes in KIM_Functions header
223 * Add a required unique name field for parameters.
225 * Refactoring of neighbor list hints. The half-list hint had a fatal flaw
226 which required its removal.
228 * Significant refactoring of the logging macros in C and C++. Complete removal
229 of all preprocessing for Fortran.
231 * Redesign of release and packaging script and process.
233 * Added a couple of new models that illustrate various features of the api.
235 * Removed v1 to v2 porting guide.
237 * "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
238 contains tables with a complete listing of all kim-api identifiers in all
239 languages and their mappings between one-another.
241 * Complete update of documentation. Rework and correct definition of
242 partialVirial and partialParticleVirial.
244 * Added emacs cc-mode settings
246 * Added clang-format settings, scripts, and git-hooks for C/C++
248 * Complete review of C++, C, and Fortran bindings for consistency
250 * Many other small and not-so-small changes.
253 === kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
255 * Fix memory leak and uninitialized variables id'ed by coverity scan.
257 * Update docs and porting guide for neighbor list hints changes.
259 * Implement neighbor list hints (paddingNeighbor & halfList); update examples.
261 * Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
263 * Add C++ LennardJones_Ar stand-alone model example.
265 * Fix compatibility checking code in example simulators.
267 * Update LennardJones612 example to use 1/2 list short-circuit mechanism.
269 * Fix collections-info to set log verbosity to debug.
271 * Use NULL consistently to initialize pointers in implemenation code.
274 === kim-api-v1.9.7 ============== 07Jul2018 ====================================
276 * Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
278 * Fix support for required-compute of forces in utility-forces-numer-deriv.
280 * Fix identifiers in bash-completions.
282 * Added --log option to CM 'list' command.
284 * Use fixed seed for random number generator in utility-forces-numer-deriv.
287 === kim-api-v2.0.0-beta.0 ======= 26Jun2018 ====================================
289 * Added a 'Guide for porting content from KIM API v1 to v2' to documentation
291 * Documentation updates and improvements
293 * Implemented extensive error checking and logging within the API
295 * Separated Model object into ComputeArguments and Model
297 * Many refinements and corrections to the new API
300 === kim-api-v1.9.6 ============== 26Jun2018 ====================================
302 * Updated INSTALL file
304 * Added 'install OpenKIM_with_history' and 'install --force' options to the
305 collections-management utility
307 * Collections-management utility now cleanly handles an unaccessible openkim.org
309 * Fixed bugs and made improvements to build system
312 === kim-api-v1.9.5 ============== 12May2018 ====================================
314 * Update build system to support parallel builds (make -j).
316 * Fixed bug in collections-management for "install OpenKIM" option.
318 * Update INSTALL file
321 === kim-api-v1.9.4 ============== 09Apr2018 ====================================
323 * Added '--interactive' option to collections-management utility.
325 * Added Travis-CI support through GitHub.
327 * Fixed bugs in collections-management utility.
329 * Fixed bugs in build system.
332 === kim-api-v1.9.3 ============== 10Feb2018 ====================================
334 * Major additions to options supported by the kim-api-v1-collections-management
335 utility. Added options include:
337 - list --with-version
339 - install environment
343 Additionally, items can now be installed from a source directory on the local
344 file system. Also, multiple items can be listed on a single command line.
346 * Added a kim-api-v1-activate/deactivate utilities (available when installed to
347 non-standard locations). These add/remove to PATH and setup the bash
350 * Added bash completions for user utilities
352 * Added support for the sysconfdir variable to the build system
354 * Updated utilities to more closely follow docopt.org specifications.
356 * Model/Driver 'make install-*' now respect the DESTDIR environment variable.
358 * Added support for Model/Driver install to the environment collection.
360 * Add tracking of Parameterized Model parameter file file-names within the
361 generated model shared library.
363 * Rename vc_* examples to utility_* to avoid confusion with new openkim.org
366 * Various minor typo and bug fixes.
369 === kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
371 * Complete rewrite of the kim-api package. Released as "alpha" to solicit
372 feedback from the user community. Changes (possibly incompatible) will be
373 made based on user experience.
375 * Major changes are summarized below.
377 * NBCs have been eliminated.
379 * KIM descriptor files have been eliminated.
381 * A new memory management scheme has been adopted.
383 * The api is now much more consistent within each language (C++, C, Fortran)
386 * Improved logging facilities and error messages.
388 * Added Doxygen generated documentation. (See the docs for more details on
389 this version of the kim-api and on the differences between v1 and v2.)
392 === kim-api-v1.9.2 ============== 08Oct2017 ====================================
394 * Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
395 is for compatibility with the recent removal of tgz support on openkim.org.
398 === kim-api-v1.9.1 ============== 27Sep2017 ====================================
400 * Adjustment to build config flags to make cross-language compiling a bit more
403 * Fix subtle Fortran implementation bug associated with non-short-circuit
404 conditional fortran behavior
406 * Remove 'make install-set-default-to-v1' target and update INSTALL instructions
407 No longer have kim-api-build-config, etc. Now they explicitly include the
408 major version number. For example, kim-api-v1-build-config
410 * Make some shell code more portable
412 * Fixed some other installation details
414 * Fixed missing semi-colon in makefile
417 === kim-api-v1.9.0 ============== 09Sep2017 ====================================
419 * Added collections-management user utility to manage build and install
420 of OpenKIM Models and Model Drivers
422 * Added support for "Simulator Models"
424 * Dramatically simplify build system by removing supported scenarios.
425 + Removed static-link build option
426 + Removed "in-place" build scenario
427 + Added support and use of the libexec directory to distinguish between
428 user executable utilities and program executable utilities
430 * Incorporate fix to configure script contributed by Christoph Junghans
432 * Fix minor bugs in KIM_API_DIRS
435 === kim-api-v1.8.2 ============== 17Apr2017 ====================================
437 * Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
440 === kim-api-v1.8.1 ============== 28Mar2017 ====================================
442 * Added additional deprecations in prep. for kim-api-v2.0.0
444 * Fixed other minor bugs in create_package script and build-config.cpp
446 * Fixed bug in Makefile.ParameterizedModel
448 * Fixed formatting error in Makefiles created by build-config utility
450 * Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
453 === kim-api-v1.8.0 ============== 17Jan2017 ====================================
455 * Deprecated significatant features and methods in prep. for kim-api-v2.0.0
457 * Updated `build-config' utility with more flexible options
459 * Removed `KIM_LINK = dynamic-link' option of build system
461 * Modified/Fixed/Improved the configuration and build system
463 * Added `collections-info' utility for querying environment variables,
464 user configuration files, and lists of models and model drivers in the
468 === kim-api-v1.7.3 ============== 02Jun2016 ====================================
470 * Added a `configure' script for setting up Makefile.KIM_Config
472 * Added support for environment-variable-collection
474 * Added support for user_config_file_dir_name setting
476 * Documentation update/improvements
478 * Minor improvements to error messages
480 * Added `make add-OpenKIM' feature
482 * Added `make help' feature
484 * Added release dates to NEWS file
489 === kim-api-v1.7.2 ============== 25Jun2015 ====================================
491 * Updated copyright years in files
493 * Rewrite of INSTALL file to provide a significantly improved description and
494 instructions for build and installation of the KIM API
496 * Fix error checking bug in ex_test_Ar_multiple_models Test
498 * Improve the build and install process to better follow standard conventions
499 for library soname values.
501 * Increased the maximum number of species supported by the example Tests to 200
503 * Fixed bug in example Tests related to maximum number of supported species
505 * Updated 'make clean' so that it removes all old library files in the source
508 * Fixed default make target for Parameterized Models
510 * Fixed a bug in the installation process associated with the use of DESTDIR
512 * Fixed a regular expression error in the build system
514 * Fixed memory leak in internal KIM API code
516 * Added sanity check to make sure that the 'xxd' utility is available
518 * vc_forces_numer_deriv now outputs configuration energy
520 * Documentation updates
523 === kim-api-v1.7.1 ============== 02Dec2014 ====================================
525 * Bug fix for build of parameterized Models
527 * Minor documentation update
530 === kim-api-v1.7.0 ============== 21Nov2014 ====================================
532 * Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
534 * Added LINKSOPATH variable to build system for advanced system install options
536 * Added KIM_API_get_kim_str_len() routine
538 * Fix inconsistencies in ex_test_Ar_multiple_models
540 * remove build system dependency on 'ed' program
542 * Update 'make add-*' mechanism to use permanent url's for openkim.org items
544 * Fix bugs and minor improvements to build system
546 * Minor improvements to error messages
548 * Updates to documentation
551 === kim-api-v1.6.3 ============== 18Aug2014 ====================================
553 * Fixed install to recognize := and = in Makefiles
555 * Removed use of non-standard strtok_r()
557 * Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
562 === kim-api-v1.6.2 ============== 11Aug2014 ====================================
564 * Correct KIM_API_Versions in template ".kim" files
566 * Update make clean target for Model Drivers and Models
568 * All template ".kim" files now generated from "legos" in git repo
571 === kim-api-v1.6.1 ============== 08Aug2014 ====================================
573 * Updates to Model Driver and Model template files (in docs/templates/)
575 * Changed the internal mechanism for handling parameter files to remove a
576 security hole associated with the use of tmpnam().
578 * Revise kim.log entries to be more informative and clear
580 * Bug fixes in build system, examples, and build system
582 * Other small documentation and code improvements
585 === kim-api-v1.6.0 ============== 28Jul2014 ====================================
587 * Documentation updates.
589 * Model Driver Template and training model examples are now generated from a
590 single consistent "lego" file. Training examples are not included in
591 official release tarballs.
593 * Add SemVer version routines to the KIM API. ".kim" files now require a
594 KIM_API_Version line to indicate the Model/Simulator compatibility.
596 * Change terminology from "Particle Types" to "Particle Species" for clarity
597 and uniformity with the rest of the OpenKIM project. (See
598 KIM_API_get_model_species(), and similar routines.)
600 * Changed KIM API routines that output strings. This avoids output of arrays
601 of strings, which are unnatural in C/C++ and allows for more natural handling
602 of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
603 KIM_API_get_params(), and similar routines.)
605 * Simulators and OpenKIM Tests now should use the "kim-api-build-config"
606 utility in order to obtain appropriate compiler and linker flags for building
609 * Changed CCFLAGS to more standard CFLAGS Make variable.
611 * Build system now provides ability to download Model Drivers and Models
612 directly from openkim.org.
614 * Change package name from "openkim-api" to "kim-api".
616 * Rename this file (CHANGELOG) to NEWS, to better follow convention.
618 * A complete restructuring of the package directory layout has been performed
619 in order to conform to more standard practices and to better reflect the
620 intended behavior and use of the package components.
622 * Model Drivers now specify the name of their ".kim" file template in their
623 Makefile. The conventional name for these files now ends in ".kim.tpl".
625 * Model ".kim" file name is now specified in the Makefile and can be anything
626 the developer desires.
628 * Remove deprecated KIM_API_init() routine.
630 * Remove deprecated Fortran Cray pointer support.
633 === openkim-api-v1.5.0 ========== 16Jul2014 ====================================
635 * Documentation updates, including an extensive discussion of the installation
638 * Update examples to use KIM_API_file_init() and name their ".kim" file
639 "descriptor.kim" in accordance with the new convention of the openkim.org
642 * Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
643 primary openkim.org Tests should initialize the KIM API and specify their KIM
646 * Portability fixes for the make system
648 * Move away from naming various files based on the item (Model Driver, Model,
649 Test) name. Instead establish standard names for each item type.
651 * Added Makefile.Version to provided the make system with version information
652 and set policy (based on SemVer 2.0.0) for how, when, and why to update the
655 * Significant updates to the make system. Primarily associated with
656 installation of the KIM API to a system-wide location, and its use once
660 === openkim-api-v1.4.1 ========== 19May2014 ====================================
663 * Added additional compiler flags to support differences between GCC and INTEL
665 * Fixed examples that used set_data when they should have used set_method.
667 * Added LDLIBS flag in split functionality of LDFLAGS variable more
668 appropriately. This is more inline with standard Makefile practice.
670 * Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
672 * Added KIM_MAKE_VERBOSITY setting to Make system
674 * Updates to README, INSTALL, and Templates
676 * Make system improvements and fixes
678 * Added checks for known buggy compilers
680 * Updated and corrected documentation
683 === openkim-api-v1.4.0 ========== 26Feb2014 ====================================
686 * Improvements to robustness and efficiency of MAKE_SYSTEM
688 * Updated copyright years in files
690 * Updated documentation to reflect new Fortran 2003 bindings
692 * Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
694 * Made significant improvement to neighbor list handling in example Tests
696 * Made some minor improvements to example Models and Model Drivers
698 * Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
700 * DEPRECATED all Cray pointer bindings and associated code
702 * Added Fortran 2003 bindings
705 === openkim-api-v1.3.1 ========== 20Jan2014 ====================================
708 * Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
709 compilers and CYGWIN systems
711 * Added notes to INSTALL for gun 4.4 and CYGWIN systems
713 * Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
716 === openkim-api-v1.3.0 ========== 10Dec2013 ====================================
719 * change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
721 * Split .kim files and parameter files into chunks to stay under C++ supported
722 string literal length.
724 * Fix for dynamic-link compile option
726 * Some minor code fixes/updates and documentation updates
728 * Updates to `make install'
730 * Fix bug in FCC example Tests
732 * Fix/Update Templates
734 * Fix a bug in Makefile.Test
736 * Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
739 === openkim-api-v1.2.3 ========== 15Nov2013 ====================================
742 * Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
744 * Fixed a memory leak in the api (patch provided by Tobias Brink)
746 * Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
747 that this header file does not need to be installed by the `make install'
750 * Changes to Makefiles to improve portability (of `make uninstall')
752 * Some minor changes to api code to remove compiler warnings from some compilers
755 === openkim-api-v1.2.2 ========== 17Sep2013 ====================================
758 * Improved speed of make system when many Models/Tests (and Drivers) exist
760 * Improved an aspect of the api's error checking/reporting
763 === openkim-api-v1.2.1 ========== 21Jul2013 ====================================
766 * Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
769 === openkim-api-v1.2.0 ========== 12Jul2013 ====================================
772 * Documentation updates.
776 * Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
777 when the package is installed via the `make install' command.
779 * Added install and uninstall targets to the Make system.
781 * Now the build system (in dynamic-load and dynamic-link modes) hides all
782 symbols in the Model Driver and Model libraries except for the model_init()
783 function and the Model's kim descriptor string. This means that there is no
784 need to worry about symbol clashes between Models, Model Drivers, or Tests.
786 * Implemented dynamic-load, dynamic-link, and static-link build options.
788 * Make system now provides only summary information on the build process. This
789 makes the progress easier to understand. To see the actual build commands
792 * Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
794 * Now use -g, -Wall, and -pedantic by default for all compilations.
796 * Changed model_init() function conventions to simplify the scheme. This also
797 resulted in the removal of the Model or Test name from the descriptor files.
799 * Added the openkim-api-descriptor-file-match utility.
801 * Completely rewrote and streamlined the openkim-api Make system
803 * Changed directory names from trailing `s' to trailing `S'.
805 * Updated example Tests and Models to use the new get/set method routines.
807 * Added `const' to api string parameters to avoid warnings in Models and Tests
809 * Added get/set method routines to properly transfer pointers to functions
810 or methods via the api.
812 * Added support to examples for NEIGH_RVEC_H.
814 * Added the NEIGH_RVEC_H NBC method.
816 * Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
818 * Added ex_model_Cu_PF_Johnson C pair-functional model and template.
820 * Updates and bug fixes in example Models.
822 * Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
823 vc_forces_delta to the distribution.
826 === openkim-api-v1.1.1 ========== 19Aug2012 ====================================
829 * Added run_forces_numer_deriv_for_all_models script that will run and
830 summarize the results of vc_forces_numer_deriv for all available Models.
832 * Added vc_forces_numer_deriv "verification check" that can be used with any
833 Model to check the consistency of its computed forces with a numerical
834 derivative based on the Model's energy.
836 * Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
838 * Fixed a bug in the make system that occurred when using static linking that
839 would cause some Models to be incorrectly identified as "unknown"
841 * ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
842 NBC (which means they work with ALL NBC methods)
844 * Documentation updates
846 * Updated 32/64 bit switching in Fortran code for easier maintenance
848 * Moved library compile flags to end of command line to make sure all libraries
849 are correctly associated with the appropriate .so files
851 * Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
852 management and PARAM_* handling
855 === openkim-api-v1.1.0 ========== 12Jul2012 ====================================
858 * Documentation updates
860 * Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
861 This allows for easily setting the value of THIS_FILE_NAME to something
862 appropriate (short) when the default preprocessor value of __FILE__ is longer
863 that 132 characters (the max line length for Fortran)
865 * Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
868 * Changed KIM_COMPUTE and KIM_NOT_COMPUTE to KIM_COMPUTE_TRUE and
869 KIM_COMPUTE_FALSE, respectively
871 * Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
872 number of neighbors for an atom
874 * Updated api and examples to always `return' with an error code instead of
875 `exit' or `stop'. This allows the Test to handle errors and is a better
876 convention for error handling
878 * Added KIM_STATUS_MODEL_UNSUPPORTED_CONFIGURATION for cases where a
879 configuration is identified at run time as unsupported
881 * Removed requirement for a trailing `/' in environment variables (such as
884 * Added make warning if `make' is invoked from a Model directory when static
885 linking is being used.
887 * Added `make examples-force' target
889 * `make examples' only copies files; it no longer also compiles everything
891 * Changed all call-back interfaces (model_init, model_reinit, model_compute,
892 model_destroy) to be consistent: integer functions (in Fortran speak). Also
893 updated examples and templates to conform to this new interface.
895 * Added get_model_partcl_typs() and get_test_partcl_type() service routines
896 Removed get_partcl_types() routine.
898 * Added ability of a Model/Model Driver to set its particle type codes at
901 * Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
904 * Added `Temperature' to standard.kim for "temperature dependent" Models
906 * New Model Driver interface supports reading from any number of files (not
909 * Support for 001-999 particle types in Model Drivers
911 * Use $(strip ) function to avoid difficult trailing space problem in make files
913 * Rearranged and simplify compiler settings files
914 (KIM_API/*_compiler_settings.mk)
916 * Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
918 * Many improvements to Make-system portability
920 * Carriage returns are now striped from kim and parameter files during Make
922 * Improvements to the vc_forces_numer_deriv verification check
924 * Bug fixes for KIM_API_init() matching
926 * Significant clean-up/rearrangement of core api code
929 === openkim-api-v1.0.1 ========== 25Feb2012 ====================================
932 * Bug fix to ex_model_Ne_P_fastLJ
934 * Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
936 * Documentation updates
939 === openkim-api-v1.0.0 ========== 22Feb2012 ====================================
942 * Moved all examples to EXAMPLES directory and added `make examples' target.
944 * Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
946 * Renamed nearly all API functions to improve readability and comprehension.
948 * Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
951 * Total re-work of unit handling for the API.
953 * Added KIM_API_model_info() function for Tests to use for discovering what a
956 * Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
957 in one function call.
959 * Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
962 * Added process_dEdr and process_dE2dr2 approach for calculating general
963 properties. Currently automatic support for `virial', `particleVirial', and
964 `hessian' is available.
966 * Added "unsymmetric half neighbor lists" (numberContributingParticles).
968 * Added model/test buffers for use by Model and Test, respectively.
970 * Improvements in dynamic linking setup.
972 * Examples additions, improvements, and bug fixes.
977 === openkim-api-v0.2.0 ========== 15Sep2011 ====================================
980 * Updated documentation
982 * Added KIM_API_report_error() service function and updated all examples
983 and templates to use this function.
985 * Added KIMstatus.h which contains definitions of KIM status codes.
987 * Added KIM_API_status_msg() service routine to return a string describing a
990 * Updated messages printed to kim.log file to be more informative.
992 * Model KIM descriptor files are now incorporated into the Model's binary
993 library file. This means that the file is no longer required at run time and
994 that the Model must be recompiled after changes to the descriptor file.
996 * Added Model Driver Templates
998 * Added two Model Drivers and four Models based on the Model Drivers
1000 * Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
1002 * Added support for Model Drivers
1007 === openkim-api-v0.1.2 ========== 22Aug2011 ====================================
1010 * Fixed a number of bugs in the examples related to running on 64bit machines
1012 * Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
1016 === openkim-api-v0.1.1 ========== 16Aug2011 ====================================
1019 * Fixed memory handling bug associated with the service functions
1020 KIM_API_get_listAtomTypes()
1021 KIM_API_get_listParams()
1022 KIM_API_get_listFreeParams()
1023 KIM_API_get_listFixedParams()
1024 KIM_API_get_NBC_method()
1026 * Fixed bug in test_**_free_cluster.F90
1028 * Renamed `README.git' to `README_GIT' to avoid confusion with the
1029 git convention that the extension `.git' refers to a bare repository
1032 === openkim-api-v0.1.0 ========== 08Aug2011 ====================================
1035 * Added TEMPLATE files to help users create their own KIM Models.
1037 * Added a number of example Models and Tests to help users understand how to
1038 implement their own openkim-api compliant codes.
1040 * Added support for ATOM/PARTICLE types
1042 * Added support for Models to publish their parameters
1044 * Added support for Models to define a `reinit' function for use when their
1045 parameters are changed by a Test.
1047 * Improved the Makefile system in general (although, more needs to be done)
1049 * Added support for neighbor list and boundary conditions (NBC)
1051 * Added support for dynamic linking
1053 * Updated documentation
1055 * Added documentation to the standard.kim file which now describes in detail
1056 the format and content of KIM descriptor files.
1058 * Added README files to every directory. These files provide a short
1059 (hopefully helpful) description of the contents of the directory)
1062 === openkim-api-v0.0.0 =========================================================
1065 The initial release of the openkim-api package. This was first made available
1066 to participants at the Inaugural Openkim Workshop held in San Diego, CA on