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-2.1.1 package.
35 === kim-api-2.1.1 =============== 24Jul2019 ====================================
37 * Refactor 'kim-api-collections-management list' code for performance.
39 * Update collections-management to use 'make -j2' for improved performance.
41 * Improve kim-api-collections-management handling of passwords for use with
42 sudo. Specifically, support reading of passwords with whitespace and other
45 * Add zsh support to activate/deactivate scripts & zsh completions.
47 * Fix c_long overflow (for i386 systems) bug in Fortran kim_collections_module.
49 * Rework 'kim-api-collections-management install xxx OpenKIM' behavior. Now
50 installs the latest official release archive found at
51 https://s3.openkim.org/archives/collection/. This also greatly reduces the
52 total build and install time.
54 * Redefine/refactor KIM::Collections behavior for finding item names.
55 Previously, a shared library file was found, opened, and checked for
56 validity. To significantly improve performance, now simply the existence of
57 the shared library file is used to identify available item names.
59 * Redefine/refactor collections-management and collections-info to remove
60 '--with-version' option.
62 * Fixup and improve Fortran example codes.
64 * Added reopology.org graphic of available binaries to README.md.
67 === kim-api-2.1.0 =============== 16Jul2019 ====================================
69 * Added new KIM::SimulatorModel interface providing programatic support to
70 simulators for packaging of parameter files, input commands, and metadata
71 necessary to run a simulator's native potentials.
73 * Added new KIM::Collections interface (and the supporting extensible
74 enumerations KIM::Collection and KIM::CollectionItemTypes) providing
75 programatic access to the KIM API Collections and its configuration settings.
76 (This included a refactor and removal of old_KIM_API_DIRS.*.)
78 * Convert from old 'models' to 'portable-models' nomenclature for KIM API
79 collections, including environment variables, configuration file, etc. (For
80 backward compatibility, the old configuration file format is still accepted.)
82 * Added support for Metadata files to (internal) KIM::SharedLibrary and
83 programatic access to these files from the new KIM::Collections interface.
85 * Automatically add standard openkim.org metadata files (kimspec.edn,
86 kimprovenance.edn, and kimcite-*.bib) to an item's shared library if they
89 * Significant documentation updates to describe the new interfaces as well as
90 changing to the the Portable Model (PM) and Simulator Model (SM) terminology.
92 * Added explicit documentation of Fortran interfaces for routines called by the
93 KIM API (ModelCreate, ModelDestroy, GetNeighborList, etc.).
95 * Added mention of "Toy Models" to documentation.
97 * Added data-type error checking for Portable Model parameter get/set routines;
98 Thanks to Daniel Schopf.
100 * Bug fixes and improvements to kim-api-collections-management script
102 * Added support for Include-What-You-Use (IWYU).
104 * Added (internal) copy of edn-cpp parser for use with SMs.
106 * Updated existing examples as necessary and added SM example.
108 * Added new "unit-test" examples of simulators using the Collections and SM
111 * Improvement to pkgconfig support; Thanks to Christoph Junghans.
113 * Added new tests to CI, based on INSTALL file.
115 * Updates create-package script and added run-cmds-from-install script.
117 * Added .clang-format-hook-ignore file and mechanism (specifically for edn-cpp).
119 * Updates to better support binary installation on various systems.
121 * Added CDDL headers to files that did not have them.
124 === kim-api-2.0.2 =============== 28Mar2019 ====================================
126 * Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
127 open source conventions
129 * Added a simulator model example
131 * Refactored support for simulator models: separated from models in collections.
132 Updated collections-management utility appropriately
134 * Updated calls to scanf() for better security
136 * Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
138 * Added build options to set system collection directories
140 * Added support for colon-separated list of directories for user and system
143 * Added '--version' flag to utilities
145 * Update bash completion to work with old and new bash
147 * Improve robustness of creat-package script
149 * Updated badges to point to 'devel' branch & create-package to change to
150 'master' branch for release commit
152 * Added coverity & codecov badges to README.md
154 * Added vX.Y.Z-git tags to git repo and updated create-package script
156 * Added NEWS file to Doxygen documentation & updated doxygen settings
158 * Improved version build metadata string using "git describe"
160 * Updated link flags for codecov
163 === kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
165 * Fix bug in KIM::SemVer::ParseSemVer()
167 * Various minor fixes to address issues identified by Coverity Scan
169 * Fix version string in libkim-api-v2.pc to conform to RPM schema
171 * Added advanced CMake options for compilers used to build items after install
173 * Added item install prefix CMake variables to cache; helps with packaging
175 * Remove dead code in top level CMakeLists.txt
178 === kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
180 * Update main documentation.
182 * Added function level documentation with cross-references and input/output
183 argument descriptions.
185 * Added Known() member function to extensible enumerations.
187 * Extensible enumeration default constructors now create uninitialized objects.
189 * Rename C++ *.String() routines to *.ToString.
191 * Added 'recursive' to all Fortran routines (for better thread safety).
193 * Added support files for readthedocs.
195 * Additions and fixes for collections-management utility.
197 * Travis CI configuration updates.
199 * Avoid some compiler warnings from clang.
201 * Various CMake fixes/adjustments.
203 * Various bug fixes in api code.
206 === kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
208 * Updated and added examples to work with and demonstrate api changes/additions
210 * Implemented new KIM::Model::IsRoutinePresent interface to facilitate
211 backward compatibility
213 * Updated SpeciesName entries for recently renamed periodic table elements
215 * Added WriteParameterizedModel Routine and assoc. code
217 * Added Extension Routine to allow for non-standard extensions
219 * Added Push/Pop Default Verbosity to KIM::Log
221 * Changed Release default LogVerbosity to INFORMATION
223 * Added ctest test for items to check that shared libraries can be opened
225 * Improvements to Collections-Management behavior
227 * Removed unnecessary header files
229 * Updated travis.ci configuration
231 * Refactored some backend implementation to improve maintainability, including
232 significant new KIM_SharedLibrarySchema interface
234 * Improvements to CMake build system
236 * Updated create-package script
238 * Updated documentation
241 === kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
243 * CMake build and test replaces custom Makefiles; added travis, gitlab CI
244 A big thank you to Richard Berger and Christoph Junghans for their major
245 contribution in getting the KIM API package converted to CMake.
247 * Using standard pkg-config setup instead of custom kim-api-v2-build-config
249 * Major restructuring of the Fortran bindings.
251 * Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
253 * Add Model routine and callback prototypes in KIM_Functions header
255 * Add a required unique name field for parameters.
257 * Refactoring of neighbor list hints. The half-list hint had a fatal flaw
258 which required its removal.
260 * Significant refactoring of the logging macros in C and C++. Complete removal
261 of all preprocessing for Fortran.
263 * Redesign of release and packaging script and process.
265 * Added a couple of new models that illustrate various features of the api.
267 * Removed v1 to v2 porting guide.
269 * "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
270 contains tables with a complete listing of all kim-api identifiers in all
271 languages and their mappings between one-another.
273 * Complete update of documentation. Rework and correct definition of
274 partialVirial and partialParticleVirial.
276 * Added emacs cc-mode settings
278 * Added clang-format settings, scripts, and git-hooks for C/C++
280 * Complete review of C++, C, and Fortran bindings for consistency
282 * Many other small and not-so-small changes.
285 === kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
287 * Fix memory leak and uninitialized variables id'ed by coverity scan.
289 * Update docs and porting guide for neighbor list hints changes.
291 * Implement neighbor list hints (paddingNeighbor & halfList); update examples.
293 * Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
295 * Add C++ LennardJones_Ar stand-alone model example.
297 * Fix compatibility checking code in example simulators.
299 * Update LennardJones612 example to use 1/2 list short-circuit mechanism.
301 * Fix collections-info to set log verbosity to debug.
303 * Use NULL consistently to initialize pointers in implemenation code.
306 === kim-api-v1.9.7 ============== 07Jul2018 ====================================
308 * Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
310 * Fix support for required-compute of forces in utility-forces-numer-deriv.
312 * Fix identifiers in bash-completions.
314 * Added --log option to CM 'list' command.
316 * Use fixed seed for random number generator in utility-forces-numer-deriv.
319 === kim-api-v2.0.0-beta.0 ======= 26Jun2018 ====================================
321 * Added a 'Guide for porting content from KIM API v1 to v2' to documentation
323 * Documentation updates and improvements
325 * Implemented extensive error checking and logging within the API
327 * Separated Model object into ComputeArguments and Model
329 * Many refinements and corrections to the new API
332 === kim-api-v1.9.6 ============== 26Jun2018 ====================================
334 * Updated INSTALL file
336 * Added 'install OpenKIM_with_history' and 'install --force' options to the
337 collections-management utility
339 * Collections-management utility now cleanly handles an unaccessible openkim.org
341 * Fixed bugs and made improvements to build system
344 === kim-api-v1.9.5 ============== 12May2018 ====================================
346 * Update build system to support parallel builds (make -j).
348 * Fixed bug in collections-management for "install OpenKIM" option.
350 * Update INSTALL file
353 === kim-api-v1.9.4 ============== 09Apr2018 ====================================
355 * Added '--interactive' option to collections-management utility.
357 * Added Travis-CI support through GitHub.
359 * Fixed bugs in collections-management utility.
361 * Fixed bugs in build system.
364 === kim-api-v1.9.3 ============== 10Feb2018 ====================================
366 * Major additions to options supported by the kim-api-v1-collections-management
367 utility. Added options include:
369 - list --with-version
371 - install environment
375 Additionally, items can now be installed from a source directory on the local
376 file system. Also, multiple items can be listed on a single command line.
378 * Added a kim-api-v1-activate/deactivate utilities (available when installed to
379 non-standard locations). These add/remove to PATH and setup the bash
382 * Added bash completions for user utilities
384 * Added support for the sysconfdir variable to the build system
386 * Updated utilities to more closely follow docopt.org specifications.
388 * Model/Driver 'make install-*' now respect the DESTDIR environment variable.
390 * Added support for Model/Driver install to the environment collection.
392 * Add tracking of Parameterized Model parameter file file-names within the
393 generated model shared library.
395 * Rename vc_* examples to utility_* to avoid confusion with new openkim.org
398 * Various minor typo and bug fixes.
401 === kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
403 * Complete rewrite of the kim-api package. Released as "alpha" to solicit
404 feedback from the user community. Changes (possibly incompatible) will be
405 made based on user experience.
407 * Major changes are summarized below.
409 * NBCs have been eliminated.
411 * KIM descriptor files have been eliminated.
413 * A new memory management scheme has been adopted.
415 * The api is now much more consistent within each language (C++, C, Fortran)
418 * Improved logging facilities and error messages.
420 * Added Doxygen generated documentation. (See the docs for more details on
421 this version of the kim-api and on the differences between v1 and v2.)
424 === kim-api-v1.9.2 ============== 08Oct2017 ====================================
426 * Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
427 is for compatibility with the recent removal of tgz support on openkim.org.
430 === kim-api-v1.9.1 ============== 27Sep2017 ====================================
432 * Adjustment to build config flags to make cross-language compiling a bit more
435 * Fix subtle Fortran implementation bug associated with non-short-circuit
436 conditional fortran behavior
438 * Remove 'make install-set-default-to-v1' target and update INSTALL instructions
439 No longer have kim-api-build-config, etc. Now they explicitly include the
440 major version number. For example, kim-api-v1-build-config
442 * Make some shell code more portable
444 * Fixed some other installation details
446 * Fixed missing semi-colon in makefile
449 === kim-api-v1.9.0 ============== 09Sep2017 ====================================
451 * Added collections-management user utility to manage build and install
452 of OpenKIM Models and Model Drivers
454 * Added support for "Simulator Models"
456 * Dramatically simplify build system by removing supported scenarios.
457 + Removed static-link build option
458 + Removed "in-place" build scenario
459 + Added support and use of the libexec directory to distinguish between
460 user executable utilities and program executable utilities
462 * Incorporate fix to configure script contributed by Christoph Junghans
464 * Fix minor bugs in KIM_API_DIRS
467 === kim-api-v1.8.2 ============== 17Apr2017 ====================================
469 * Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
472 === kim-api-v1.8.1 ============== 28Mar2017 ====================================
474 * Added additional deprecations in prep. for kim-api-v2.0.0
476 * Fixed other minor bugs in create_package script and build-config.cpp
478 * Fixed bug in Makefile.ParameterizedModel
480 * Fixed formatting error in Makefiles created by build-config utility
482 * Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
485 === kim-api-v1.8.0 ============== 17Jan2017 ====================================
487 * Deprecated significatant features and methods in prep. for kim-api-v2.0.0
489 * Updated `build-config' utility with more flexible options
491 * Removed `KIM_LINK = dynamic-link' option of build system
493 * Modified/Fixed/Improved the configuration and build system
495 * Added `collections-info' utility for querying environment variables,
496 user configuration files, and lists of models and model drivers in the
500 === kim-api-v1.7.3 ============== 02Jun2016 ====================================
502 * Added a `configure' script for setting up Makefile.KIM_Config
504 * Added support for environment-variable-collection
506 * Added support for user_config_file_dir_name setting
508 * Documentation update/improvements
510 * Minor improvements to error messages
512 * Added `make add-OpenKIM' feature
514 * Added `make help' feature
516 * Added release dates to NEWS file
521 === kim-api-v1.7.2 ============== 25Jun2015 ====================================
523 * Updated copyright years in files
525 * Rewrite of INSTALL file to provide a significantly improved description and
526 instructions for build and installation of the KIM API
528 * Fix error checking bug in ex_test_Ar_multiple_models Test
530 * Improve the build and install process to better follow standard conventions
531 for library soname values.
533 * Increased the maximum number of species supported by the example Tests to 200
535 * Fixed bug in example Tests related to maximum number of supported species
537 * Updated 'make clean' so that it removes all old library files in the source
540 * Fixed default make target for Parameterized Models
542 * Fixed a bug in the installation process associated with the use of DESTDIR
544 * Fixed a regular expression error in the build system
546 * Fixed memory leak in internal KIM API code
548 * Added sanity check to make sure that the 'xxd' utility is available
550 * vc_forces_numer_deriv now outputs configuration energy
552 * Documentation updates
555 === kim-api-v1.7.1 ============== 02Dec2014 ====================================
557 * Bug fix for build of parameterized Models
559 * Minor documentation update
562 === kim-api-v1.7.0 ============== 21Nov2014 ====================================
564 * Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
566 * Added LINKSOPATH variable to build system for advanced system install options
568 * Added KIM_API_get_kim_str_len() routine
570 * Fix inconsistencies in ex_test_Ar_multiple_models
572 * remove build system dependency on 'ed' program
574 * Update 'make add-*' mechanism to use permanent url's for openkim.org items
576 * Fix bugs and minor improvements to build system
578 * Minor improvements to error messages
580 * Updates to documentation
583 === kim-api-v1.6.3 ============== 18Aug2014 ====================================
585 * Fixed install to recognize := and = in Makefiles
587 * Removed use of non-standard strtok_r()
589 * Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
594 === kim-api-v1.6.2 ============== 11Aug2014 ====================================
596 * Correct KIM_API_Versions in template ".kim" files
598 * Update make clean target for Model Drivers and Models
600 * All template ".kim" files now generated from "legos" in git repo
603 === kim-api-v1.6.1 ============== 08Aug2014 ====================================
605 * Updates to Model Driver and Model template files (in docs/templates/)
607 * Changed the internal mechanism for handling parameter files to remove a
608 security hole associated with the use of tmpnam().
610 * Revise kim.log entries to be more informative and clear
612 * Bug fixes in build system, examples, and build system
614 * Other small documentation and code improvements
617 === kim-api-v1.6.0 ============== 28Jul2014 ====================================
619 * Documentation updates.
621 * Model Driver Template and training model examples are now generated from a
622 single consistent "lego" file. Training examples are not included in
623 official release tarballs.
625 * Add SemVer version routines to the KIM API. ".kim" files now require a
626 KIM_API_Version line to indicate the Model/Simulator compatibility.
628 * Change terminology from "Particle Types" to "Particle Species" for clarity
629 and uniformity with the rest of the OpenKIM project. (See
630 KIM_API_get_model_species(), and similar routines.)
632 * Changed KIM API routines that output strings. This avoids output of arrays
633 of strings, which are unnatural in C/C++ and allows for more natural handling
634 of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
635 KIM_API_get_params(), and similar routines.)
637 * Simulators and OpenKIM Tests now should use the "kim-api-build-config"
638 utility in order to obtain appropriate compiler and linker flags for building
641 * Changed CCFLAGS to more standard CFLAGS Make variable.
643 * Build system now provides ability to download Model Drivers and Models
644 directly from openkim.org.
646 * Change package name from "openkim-api" to "kim-api".
648 * Rename this file (CHANGELOG) to NEWS, to better follow convention.
650 * A complete restructuring of the package directory layout has been performed
651 in order to conform to more standard practices and to better reflect the
652 intended behavior and use of the package components.
654 * Model Drivers now specify the name of their ".kim" file template in their
655 Makefile. The conventional name for these files now ends in ".kim.tpl".
657 * Model ".kim" file name is now specified in the Makefile and can be anything
658 the developer desires.
660 * Remove deprecated KIM_API_init() routine.
662 * Remove deprecated Fortran Cray pointer support.
665 === openkim-api-v1.5.0 ========== 16Jul2014 ====================================
667 * Documentation updates, including an extensive discussion of the installation
670 * Update examples to use KIM_API_file_init() and name their ".kim" file
671 "descriptor.kim" in accordance with the new convention of the openkim.org
674 * Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
675 primary openkim.org Tests should initialize the KIM API and specify their KIM
678 * Portability fixes for the make system
680 * Move away from naming various files based on the item (Model Driver, Model,
681 Test) name. Instead establish standard names for each item type.
683 * Added Makefile.Version to provided the make system with version information
684 and set policy (based on SemVer 2.0.0) for how, when, and why to update the
687 * Significant updates to the make system. Primarily associated with
688 installation of the KIM API to a system-wide location, and its use once
692 === openkim-api-v1.4.1 ========== 19May2014 ====================================
695 * Added additional compiler flags to support differences between GCC and INTEL
697 * Fixed examples that used set_data when they should have used set_method.
699 * Added LDLIBS flag in split functionality of LDFLAGS variable more
700 appropriately. This is more inline with standard Makefile practice.
702 * Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
704 * Added KIM_MAKE_VERBOSITY setting to Make system
706 * Updates to README, INSTALL, and Templates
708 * Make system improvements and fixes
710 * Added checks for known buggy compilers
712 * Updated and corrected documentation
715 === openkim-api-v1.4.0 ========== 26Feb2014 ====================================
718 * Improvements to robustness and efficiency of MAKE_SYSTEM
720 * Updated copyright years in files
722 * Updated documentation to reflect new Fortran 2003 bindings
724 * Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
726 * Made significant improvement to neighbor list handling in example Tests
728 * Made some minor improvements to example Models and Model Drivers
730 * Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
732 * DEPRECATED all Cray pointer bindings and associated code
734 * Added Fortran 2003 bindings
737 === openkim-api-v1.3.1 ========== 20Jan2014 ====================================
740 * Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
741 compilers and CYGWIN systems
743 * Added notes to INSTALL for gun 4.4 and CYGWIN systems
745 * Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
748 === openkim-api-v1.3.0 ========== 10Dec2013 ====================================
751 * change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
753 * Split .kim files and parameter files into chunks to stay under C++ supported
754 string literal length.
756 * Fix for dynamic-link compile option
758 * Some minor code fixes/updates and documentation updates
760 * Updates to `make install'
762 * Fix bug in FCC example Tests
764 * Fix/Update Templates
766 * Fix a bug in Makefile.Test
768 * Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
771 === openkim-api-v1.2.3 ========== 15Nov2013 ====================================
774 * Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
776 * Fixed a memory leak in the api (patch provided by Tobias Brink)
778 * Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
779 that this header file does not need to be installed by the `make install'
782 * Changes to Makefiles to improve portability (of `make uninstall')
784 * Some minor changes to api code to remove compiler warnings from some compilers
787 === openkim-api-v1.2.2 ========== 17Sep2013 ====================================
790 * Improved speed of make system when many Models/Tests (and Drivers) exist
792 * Improved an aspect of the api's error checking/reporting
795 === openkim-api-v1.2.1 ========== 21Jul2013 ====================================
798 * Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
801 === openkim-api-v1.2.0 ========== 12Jul2013 ====================================
804 * Documentation updates.
808 * Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
809 when the package is installed via the `make install' command.
811 * Added install and uninstall targets to the Make system.
813 * Now the build system (in dynamic-load and dynamic-link modes) hides all
814 symbols in the Model Driver and Model libraries except for the model_init()
815 function and the Model's kim descriptor string. This means that there is no
816 need to worry about symbol clashes between Models, Model Drivers, or Tests.
818 * Implemented dynamic-load, dynamic-link, and static-link build options.
820 * Make system now provides only summary information on the build process. This
821 makes the progress easier to understand. To see the actual build commands
824 * Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
826 * Now use -g, -Wall, and -pedantic by default for all compilations.
828 * Changed model_init() function conventions to simplify the scheme. This also
829 resulted in the removal of the Model or Test name from the descriptor files.
831 * Added the openkim-api-descriptor-file-match utility.
833 * Completely rewrote and streamlined the openkim-api Make system
835 * Changed directory names from trailing `s' to trailing `S'.
837 * Updated example Tests and Models to use the new get/set method routines.
839 * Added `const' to api string parameters to avoid warnings in Models and Tests
841 * Added get/set method routines to properly transfer pointers to functions
842 or methods via the api.
844 * Added support to examples for NEIGH_RVEC_H.
846 * Added the NEIGH_RVEC_H NBC method.
848 * Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
850 * Added ex_model_Cu_PF_Johnson C pair-functional model and template.
852 * Updates and bug fixes in example Models.
854 * Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
855 vc_forces_delta to the distribution.
858 === openkim-api-v1.1.1 ========== 19Aug2012 ====================================
861 * Added run_forces_numer_deriv_for_all_models script that will run and
862 summarize the results of vc_forces_numer_deriv for all available Models.
864 * Added vc_forces_numer_deriv "verification check" that can be used with any
865 Model to check the consistency of its computed forces with a numerical
866 derivative based on the Model's energy.
868 * Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
870 * Fixed a bug in the make system that occurred when using static linking that
871 would cause some Models to be incorrectly identified as "unknown"
873 * ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
874 NBC (which means they work with ALL NBC methods)
876 * Documentation updates
878 * Updated 32/64 bit switching in Fortran code for easier maintenance
880 * Moved library compile flags to end of command line to make sure all libraries
881 are correctly associated with the appropriate .so files
883 * Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
884 management and PARAM_* handling
887 === openkim-api-v1.1.0 ========== 12Jul2012 ====================================
890 * Documentation updates
892 * Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
893 This allows for easily setting the value of THIS_FILE_NAME to something
894 appropriate (short) when the default preprocessor value of __FILE__ is longer
895 that 132 characters (the max line length for Fortran)
897 * Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
900 * Changed KIM_COMPUTE and KIM_NOT_COMPUTE to KIM_COMPUTE_TRUE and
901 KIM_COMPUTE_FALSE, respectively
903 * Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
904 number of neighbors for an atom
906 * Updated api and examples to always `return' with an error code instead of
907 `exit' or `stop'. This allows the Test to handle errors and is a better
908 convention for error handling
910 * Added KIM_STATUS_MODEL_UNSUPPORTED_CONFIGURATION for cases where a
911 configuration is identified at run time as unsupported
913 * Removed requirement for a trailing `/' in environment variables (such as
916 * Added make warning if `make' is invoked from a Model directory when static
917 linking is being used.
919 * Added `make examples-force' target
921 * `make examples' only copies files; it no longer also compiles everything
923 * Changed all call-back interfaces (model_init, model_reinit, model_compute,
924 model_destroy) to be consistent: integer functions (in Fortran speak). Also
925 updated examples and templates to conform to this new interface.
927 * Added get_model_partcl_typs() and get_test_partcl_type() service routines
928 Removed get_partcl_types() routine.
930 * Added ability of a Model/Model Driver to set its particle type codes at
933 * Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
936 * Added `Temperature' to standard.kim for "temperature dependent" Models
938 * New Model Driver interface supports reading from any number of files (not
941 * Support for 001-999 particle types in Model Drivers
943 * Use $(strip ) function to avoid difficult trailing space problem in make files
945 * Rearranged and simplify compiler settings files
946 (KIM_API/*_compiler_settings.mk)
948 * Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
950 * Many improvements to Make-system portability
952 * Carriage returns are now striped from kim and parameter files during Make
954 * Improvements to the vc_forces_numer_deriv verification check
956 * Bug fixes for KIM_API_init() matching
958 * Significant clean-up/rearrangement of core api code
961 === openkim-api-v1.0.1 ========== 25Feb2012 ====================================
964 * Bug fix to ex_model_Ne_P_fastLJ
966 * Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
968 * Documentation updates
971 === openkim-api-v1.0.0 ========== 22Feb2012 ====================================
974 * Moved all examples to EXAMPLES directory and added `make examples' target.
976 * Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
978 * Renamed nearly all API functions to improve readability and comprehension.
980 * Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
983 * Total re-work of unit handling for the API.
985 * Added KIM_API_model_info() function for Tests to use for discovering what a
988 * Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
989 in one function call.
991 * Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
994 * Added process_dEdr and process_dE2dr2 approach for calculating general
995 properties. Currently automatic support for `virial', `particleVirial', and
996 `hessian' is available.
998 * Added "unsymmetric half neighbor lists" (numberContributingParticles).
1000 * Added model/test buffers for use by Model and Test, respectively.
1002 * Improvements in dynamic linking setup.
1004 * Examples additions, improvements, and bug fixes.
1009 === openkim-api-v0.2.0 ========== 15Sep2011 ====================================
1012 * Updated documentation
1014 * Added KIM_API_report_error() service function and updated all examples
1015 and templates to use this function.
1017 * Added KIMstatus.h which contains definitions of KIM status codes.
1019 * Added KIM_API_status_msg() service routine to return a string describing a
1022 * Updated messages printed to kim.log file to be more informative.
1024 * Model KIM descriptor files are now incorporated into the Model's binary
1025 library file. This means that the file is no longer required at run time and
1026 that the Model must be recompiled after changes to the descriptor file.
1028 * Added Model Driver Templates
1030 * Added two Model Drivers and four Models based on the Model Drivers
1032 * Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
1034 * Added support for Model Drivers
1039 === openkim-api-v0.1.2 ========== 22Aug2011 ====================================
1042 * Fixed a number of bugs in the examples related to running on 64bit machines
1044 * Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
1048 === openkim-api-v0.1.1 ========== 16Aug2011 ====================================
1051 * Fixed memory handling bug associated with the service functions
1052 KIM_API_get_listAtomTypes()
1053 KIM_API_get_listParams()
1054 KIM_API_get_listFreeParams()
1055 KIM_API_get_listFixedParams()
1056 KIM_API_get_NBC_method()
1058 * Fixed bug in test_**_free_cluster.F90
1060 * Renamed `README.git' to `README_GIT' to avoid confusion with the
1061 git convention that the extension `.git' refers to a bare repository
1064 === openkim-api-v0.1.0 ========== 08Aug2011 ====================================
1067 * Added TEMPLATE files to help users create their own KIM Models.
1069 * Added a number of example Models and Tests to help users understand how to
1070 implement their own openkim-api compliant codes.
1072 * Added support for ATOM/PARTICLE types
1074 * Added support for Models to publish their parameters
1076 * Added support for Models to define a `reinit' function for use when their
1077 parameters are changed by a Test.
1079 * Improved the Makefile system in general (although, more needs to be done)
1081 * Added support for neighbor list and boundary conditions (NBC)
1083 * Added support for dynamic linking
1085 * Updated documentation
1087 * Added documentation to the standard.kim file which now describes in detail
1088 the format and content of KIM descriptor files.
1090 * Added README files to every directory. These files provide a short
1091 (hopefully helpful) description of the contents of the directory)
1094 === openkim-api-v0.0.0 =========================================================
1097 The initial release of the openkim-api package. This was first made available
1098 to participants at the Inaugural Openkim Workshop held in San Diego, CA on