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-2.1.2 package.
35 === kim-api-2.1.2 =============== 29Jul2019 ====================================
37 * Fixup Fortran kim_collections_module interfaces to be consistent with c/c++.
39 * Fixup collections-management for portabability to dash.
41 * Improve item-wrapper.cpp.in for more standard compliant MD, MO, SM behavior.
43 * Improve zsh completion install behavior.
45 * Fixup Fortran c_long communication and overflow behavior.
47 * Add missing testing of interface in examples/simulators/collections-example.
49 * Improve example/simulators to remove warnings.
51 * Fix bug in KIM::SimulatorModel::Create().
54 === kim-api-2.1.1 =============== 24Jul2019 ====================================
56 * Refactor 'kim-api-collections-management list' code for performance.
58 * Update collections-management to use 'make -j2' for improved performance.
60 * Improve kim-api-collections-management handling of passwords for use with
61 sudo. Specifically, support reading of passwords with whitespace and other
64 * Add zsh support to activate/deactivate scripts & zsh completions.
66 * Fix c_long overflow (for i386 systems) bug in Fortran kim_collections_module.
68 * Rework 'kim-api-collections-management install xxx OpenKIM' behavior. Now
69 installs the latest official release archive found at
70 https://s3.openkim.org/archives/collection/. This also greatly reduces the
71 total build and install time.
73 * Redefine/refactor KIM::Collections behavior for finding item names.
74 Previously, a shared library file was found, opened, and checked for
75 validity. To significantly improve performance, now simply the existence of
76 the shared library file is used to identify available item names.
78 * Redefine/refactor collections-management and collections-info to remove
79 '--with-version' option.
81 * Fixup and improve Fortran example codes.
83 * Added reopology.org graphic of available binaries to README.md.
86 === kim-api-2.1.0 =============== 16Jul2019 ====================================
88 * Added new KIM::SimulatorModel interface providing programatic support to
89 simulators for packaging of parameter files, input commands, and metadata
90 necessary to run a simulator's native potentials.
92 * Added new KIM::Collections interface (and the supporting extensible
93 enumerations KIM::Collection and KIM::CollectionItemTypes) providing
94 programatic access to the KIM API Collections and its configuration settings.
95 (This included a refactor and removal of old_KIM_API_DIRS.*.)
97 * Convert from old 'models' to 'portable-models' nomenclature for KIM API
98 collections, including environment variables, configuration file, etc. (For
99 backward compatibility, the old configuration file format is still accepted.)
101 * Added support for Metadata files to (internal) KIM::SharedLibrary and
102 programatic access to these files from the new KIM::Collections interface.
104 * Automatically add standard openkim.org metadata files (kimspec.edn,
105 kimprovenance.edn, and kimcite-*.bib) to an item's shared library if they
108 * Significant documentation updates to describe the new interfaces as well as
109 changing to the the Portable Model (PM) and Simulator Model (SM) terminology.
111 * Added explicit documentation of Fortran interfaces for routines called by the
112 KIM API (ModelCreate, ModelDestroy, GetNeighborList, etc.).
114 * Added mention of "Toy Models" to documentation.
116 * Added data-type error checking for Portable Model parameter get/set routines;
117 Thanks to Daniel Schopf.
119 * Bug fixes and improvements to kim-api-collections-management script
121 * Added support for Include-What-You-Use (IWYU).
123 * Added (internal) copy of edn-cpp parser for use with SMs.
125 * Updated existing examples as necessary and added SM example.
127 * Added new "unit-test" examples of simulators using the Collections and SM
130 * Improvement to pkgconfig support; Thanks to Christoph Junghans.
132 * Added new tests to CI, based on INSTALL file.
134 * Updates create-package script and added run-cmds-from-install script.
136 * Added .clang-format-hook-ignore file and mechanism (specifically for edn-cpp).
138 * Updates to better support binary installation on various systems.
140 * Added CDDL headers to files that did not have them.
143 === kim-api-2.0.2 =============== 28Mar2019 ====================================
145 * Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
146 open source conventions
148 * Added a simulator model example
150 * Refactored support for simulator models: separated from models in collections.
151 Updated collections-management utility appropriately
153 * Updated calls to scanf() for better security
155 * Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
157 * Added build options to set system collection directories
159 * Added support for colon-separated list of directories for user and system
162 * Added '--version' flag to utilities
164 * Update bash completion to work with old and new bash
166 * Improve robustness of creat-package script
168 * Updated badges to point to 'devel' branch & create-package to change to
169 'master' branch for release commit
171 * Added coverity & codecov badges to README.md
173 * Added vX.Y.Z-git tags to git repo and updated create-package script
175 * Added NEWS file to Doxygen documentation & updated doxygen settings
177 * Improved version build metadata string using "git describe"
179 * Updated link flags for codecov
182 === kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
184 * Fix bug in KIM::SemVer::ParseSemVer()
186 * Various minor fixes to address issues identified by Coverity Scan
188 * Fix version string in libkim-api-v2.pc to conform to RPM schema
190 * Added advanced CMake options for compilers used to build items after install
192 * Added item install prefix CMake variables to cache; helps with packaging
194 * Remove dead code in top level CMakeLists.txt
197 === kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
199 * Update main documentation.
201 * Added function level documentation with cross-references and input/output
202 argument descriptions.
204 * Added Known() member function to extensible enumerations.
206 * Extensible enumeration default constructors now create uninitialized objects.
208 * Rename C++ *.String() routines to *.ToString.
210 * Added 'recursive' to all Fortran routines (for better thread safety).
212 * Added support files for readthedocs.
214 * Additions and fixes for collections-management utility.
216 * Travis CI configuration updates.
218 * Avoid some compiler warnings from clang.
220 * Various CMake fixes/adjustments.
222 * Various bug fixes in api code.
225 === kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
227 * Updated and added examples to work with and demonstrate api changes/additions
229 * Implemented new KIM::Model::IsRoutinePresent interface to facilitate
230 backward compatibility
232 * Updated SpeciesName entries for recently renamed periodic table elements
234 * Added WriteParameterizedModel Routine and assoc. code
236 * Added Extension Routine to allow for non-standard extensions
238 * Added Push/Pop Default Verbosity to KIM::Log
240 * Changed Release default LogVerbosity to INFORMATION
242 * Added ctest test for items to check that shared libraries can be opened
244 * Improvements to Collections-Management behavior
246 * Removed unnecessary header files
248 * Updated travis.ci configuration
250 * Refactored some backend implementation to improve maintainability, including
251 significant new KIM_SharedLibrarySchema interface
253 * Improvements to CMake build system
255 * Updated create-package script
257 * Updated documentation
260 === kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
262 * CMake build and test replaces custom Makefiles; added travis, gitlab CI
263 A big thank you to Richard Berger and Christoph Junghans for their major
264 contribution in getting the KIM API package converted to CMake.
266 * Using standard pkg-config setup instead of custom kim-api-v2-build-config
268 * Major restructuring of the Fortran bindings.
270 * Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
272 * Add Model routine and callback prototypes in KIM_Functions header
274 * Add a required unique name field for parameters.
276 * Refactoring of neighbor list hints. The half-list hint had a fatal flaw
277 which required its removal.
279 * Significant refactoring of the logging macros in C and C++. Complete removal
280 of all preprocessing for Fortran.
282 * Redesign of release and packaging script and process.
284 * Added a couple of new models that illustrate various features of the api.
286 * Removed v1 to v2 porting guide.
288 * "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
289 contains tables with a complete listing of all kim-api identifiers in all
290 languages and their mappings between one-another.
292 * Complete update of documentation. Rework and correct definition of
293 partialVirial and partialParticleVirial.
295 * Added emacs cc-mode settings
297 * Added clang-format settings, scripts, and git-hooks for C/C++
299 * Complete review of C++, C, and Fortran bindings for consistency
301 * Many other small and not-so-small changes.
304 === kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
306 * Fix memory leak and uninitialized variables id'ed by coverity scan.
308 * Update docs and porting guide for neighbor list hints changes.
310 * Implement neighbor list hints (paddingNeighbor & halfList); update examples.
312 * Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
314 * Add C++ LennardJones_Ar stand-alone model example.
316 * Fix compatibility checking code in example simulators.
318 * Update LennardJones612 example to use 1/2 list short-circuit mechanism.
320 * Fix collections-info to set log verbosity to debug.
322 * Use NULL consistently to initialize pointers in implemenation code.
325 === kim-api-v1.9.7 ============== 07Jul2018 ====================================
327 * Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
329 * Fix support for required-compute of forces in utility-forces-numer-deriv.
331 * Fix identifiers in bash-completions.
333 * Added --log option to CM 'list' command.
335 * Use fixed seed for random number generator in utility-forces-numer-deriv.
338 === kim-api-v2.0.0-beta.0 ======= 26Jun2018 ====================================
340 * Added a 'Guide for porting content from KIM API v1 to v2' to documentation
342 * Documentation updates and improvements
344 * Implemented extensive error checking and logging within the API
346 * Separated Model object into ComputeArguments and Model
348 * Many refinements and corrections to the new API
351 === kim-api-v1.9.6 ============== 26Jun2018 ====================================
353 * Updated INSTALL file
355 * Added 'install OpenKIM_with_history' and 'install --force' options to the
356 collections-management utility
358 * Collections-management utility now cleanly handles an unaccessible openkim.org
360 * Fixed bugs and made improvements to build system
363 === kim-api-v1.9.5 ============== 12May2018 ====================================
365 * Update build system to support parallel builds (make -j).
367 * Fixed bug in collections-management for "install OpenKIM" option.
369 * Update INSTALL file
372 === kim-api-v1.9.4 ============== 09Apr2018 ====================================
374 * Added '--interactive' option to collections-management utility.
376 * Added Travis-CI support through GitHub.
378 * Fixed bugs in collections-management utility.
380 * Fixed bugs in build system.
383 === kim-api-v1.9.3 ============== 10Feb2018 ====================================
385 * Major additions to options supported by the kim-api-v1-collections-management
386 utility. Added options include:
388 - list --with-version
390 - install environment
394 Additionally, items can now be installed from a source directory on the local
395 file system. Also, multiple items can be listed on a single command line.
397 * Added a kim-api-v1-activate/deactivate utilities (available when installed to
398 non-standard locations). These add/remove to PATH and setup the bash
401 * Added bash completions for user utilities
403 * Added support for the sysconfdir variable to the build system
405 * Updated utilities to more closely follow docopt.org specifications.
407 * Model/Driver 'make install-*' now respect the DESTDIR environment variable.
409 * Added support for Model/Driver install to the environment collection.
411 * Add tracking of Parameterized Model parameter file file-names within the
412 generated model shared library.
414 * Rename vc_* examples to utility_* to avoid confusion with new openkim.org
417 * Various minor typo and bug fixes.
420 === kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
422 * Complete rewrite of the kim-api package. Released as "alpha" to solicit
423 feedback from the user community. Changes (possibly incompatible) will be
424 made based on user experience.
426 * Major changes are summarized below.
428 * NBCs have been eliminated.
430 * KIM descriptor files have been eliminated.
432 * A new memory management scheme has been adopted.
434 * The api is now much more consistent within each language (C++, C, Fortran)
437 * Improved logging facilities and error messages.
439 * Added Doxygen generated documentation. (See the docs for more details on
440 this version of the kim-api and on the differences between v1 and v2.)
443 === kim-api-v1.9.2 ============== 08Oct2017 ====================================
445 * Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
446 is for compatibility with the recent removal of tgz support on openkim.org.
449 === kim-api-v1.9.1 ============== 27Sep2017 ====================================
451 * Adjustment to build config flags to make cross-language compiling a bit more
454 * Fix subtle Fortran implementation bug associated with non-short-circuit
455 conditional fortran behavior
457 * Remove 'make install-set-default-to-v1' target and update INSTALL instructions
458 No longer have kim-api-build-config, etc. Now they explicitly include the
459 major version number. For example, kim-api-v1-build-config
461 * Make some shell code more portable
463 * Fixed some other installation details
465 * Fixed missing semi-colon in makefile
468 === kim-api-v1.9.0 ============== 09Sep2017 ====================================
470 * Added collections-management user utility to manage build and install
471 of OpenKIM Models and Model Drivers
473 * Added support for "Simulator Models"
475 * Dramatically simplify build system by removing supported scenarios.
476 + Removed static-link build option
477 + Removed "in-place" build scenario
478 + Added support and use of the libexec directory to distinguish between
479 user executable utilities and program executable utilities
481 * Incorporate fix to configure script contributed by Christoph Junghans
483 * Fix minor bugs in KIM_API_DIRS
486 === kim-api-v1.8.2 ============== 17Apr2017 ====================================
488 * Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
491 === kim-api-v1.8.1 ============== 28Mar2017 ====================================
493 * Added additional deprecations in prep. for kim-api-v2.0.0
495 * Fixed other minor bugs in create_package script and build-config.cpp
497 * Fixed bug in Makefile.ParameterizedModel
499 * Fixed formatting error in Makefiles created by build-config utility
501 * Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
504 === kim-api-v1.8.0 ============== 17Jan2017 ====================================
506 * Deprecated significatant features and methods in prep. for kim-api-v2.0.0
508 * Updated `build-config' utility with more flexible options
510 * Removed `KIM_LINK = dynamic-link' option of build system
512 * Modified/Fixed/Improved the configuration and build system
514 * Added `collections-info' utility for querying environment variables,
515 user configuration files, and lists of models and model drivers in the
519 === kim-api-v1.7.3 ============== 02Jun2016 ====================================
521 * Added a `configure' script for setting up Makefile.KIM_Config
523 * Added support for environment-variable-collection
525 * Added support for user_config_file_dir_name setting
527 * Documentation update/improvements
529 * Minor improvements to error messages
531 * Added `make add-OpenKIM' feature
533 * Added `make help' feature
535 * Added release dates to NEWS file
540 === kim-api-v1.7.2 ============== 25Jun2015 ====================================
542 * Updated copyright years in files
544 * Rewrite of INSTALL file to provide a significantly improved description and
545 instructions for build and installation of the KIM API
547 * Fix error checking bug in ex_test_Ar_multiple_models Test
549 * Improve the build and install process to better follow standard conventions
550 for library soname values.
552 * Increased the maximum number of species supported by the example Tests to 200
554 * Fixed bug in example Tests related to maximum number of supported species
556 * Updated 'make clean' so that it removes all old library files in the source
559 * Fixed default make target for Parameterized Models
561 * Fixed a bug in the installation process associated with the use of DESTDIR
563 * Fixed a regular expression error in the build system
565 * Fixed memory leak in internal KIM API code
567 * Added sanity check to make sure that the 'xxd' utility is available
569 * vc_forces_numer_deriv now outputs configuration energy
571 * Documentation updates
574 === kim-api-v1.7.1 ============== 02Dec2014 ====================================
576 * Bug fix for build of parameterized Models
578 * Minor documentation update
581 === kim-api-v1.7.0 ============== 21Nov2014 ====================================
583 * Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
585 * Added LINKSOPATH variable to build system for advanced system install options
587 * Added KIM_API_get_kim_str_len() routine
589 * Fix inconsistencies in ex_test_Ar_multiple_models
591 * remove build system dependency on 'ed' program
593 * Update 'make add-*' mechanism to use permanent url's for openkim.org items
595 * Fix bugs and minor improvements to build system
597 * Minor improvements to error messages
599 * Updates to documentation
602 === kim-api-v1.6.3 ============== 18Aug2014 ====================================
604 * Fixed install to recognize := and = in Makefiles
606 * Removed use of non-standard strtok_r()
608 * Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
613 === kim-api-v1.6.2 ============== 11Aug2014 ====================================
615 * Correct KIM_API_Versions in template ".kim" files
617 * Update make clean target for Model Drivers and Models
619 * All template ".kim" files now generated from "legos" in git repo
622 === kim-api-v1.6.1 ============== 08Aug2014 ====================================
624 * Updates to Model Driver and Model template files (in docs/templates/)
626 * Changed the internal mechanism for handling parameter files to remove a
627 security hole associated with the use of tmpnam().
629 * Revise kim.log entries to be more informative and clear
631 * Bug fixes in build system, examples, and build system
633 * Other small documentation and code improvements
636 === kim-api-v1.6.0 ============== 28Jul2014 ====================================
638 * Documentation updates.
640 * Model Driver Template and training model examples are now generated from a
641 single consistent "lego" file. Training examples are not included in
642 official release tarballs.
644 * Add SemVer version routines to the KIM API. ".kim" files now require a
645 KIM_API_Version line to indicate the Model/Simulator compatibility.
647 * Change terminology from "Particle Types" to "Particle Species" for clarity
648 and uniformity with the rest of the OpenKIM project. (See
649 KIM_API_get_model_species(), and similar routines.)
651 * Changed KIM API routines that output strings. This avoids output of arrays
652 of strings, which are unnatural in C/C++ and allows for more natural handling
653 of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
654 KIM_API_get_params(), and similar routines.)
656 * Simulators and OpenKIM Tests now should use the "kim-api-build-config"
657 utility in order to obtain appropriate compiler and linker flags for building
660 * Changed CCFLAGS to more standard CFLAGS Make variable.
662 * Build system now provides ability to download Model Drivers and Models
663 directly from openkim.org.
665 * Change package name from "openkim-api" to "kim-api".
667 * Rename this file (CHANGELOG) to NEWS, to better follow convention.
669 * A complete restructuring of the package directory layout has been performed
670 in order to conform to more standard practices and to better reflect the
671 intended behavior and use of the package components.
673 * Model Drivers now specify the name of their ".kim" file template in their
674 Makefile. The conventional name for these files now ends in ".kim.tpl".
676 * Model ".kim" file name is now specified in the Makefile and can be anything
677 the developer desires.
679 * Remove deprecated KIM_API_init() routine.
681 * Remove deprecated Fortran Cray pointer support.
684 === openkim-api-v1.5.0 ========== 16Jul2014 ====================================
686 * Documentation updates, including an extensive discussion of the installation
689 * Update examples to use KIM_API_file_init() and name their ".kim" file
690 "descriptor.kim" in accordance with the new convention of the openkim.org
693 * Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
694 primary openkim.org Tests should initialize the KIM API and specify their KIM
697 * Portability fixes for the make system
699 * Move away from naming various files based on the item (Model Driver, Model,
700 Test) name. Instead establish standard names for each item type.
702 * Added Makefile.Version to provided the make system with version information
703 and set policy (based on SemVer 2.0.0) for how, when, and why to update the
706 * Significant updates to the make system. Primarily associated with
707 installation of the KIM API to a system-wide location, and its use once
711 === openkim-api-v1.4.1 ========== 19May2014 ====================================
714 * Added additional compiler flags to support differences between GCC and INTEL
716 * Fixed examples that used set_data when they should have used set_method.
718 * Added LDLIBS flag in split functionality of LDFLAGS variable more
719 appropriately. This is more inline with standard Makefile practice.
721 * Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
723 * Added KIM_MAKE_VERBOSITY setting to Make system
725 * Updates to README, INSTALL, and Templates
727 * Make system improvements and fixes
729 * Added checks for known buggy compilers
731 * Updated and corrected documentation
734 === openkim-api-v1.4.0 ========== 26Feb2014 ====================================
737 * Improvements to robustness and efficiency of MAKE_SYSTEM
739 * Updated copyright years in files
741 * Updated documentation to reflect new Fortran 2003 bindings
743 * Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
745 * Made significant improvement to neighbor list handling in example Tests
747 * Made some minor improvements to example Models and Model Drivers
749 * Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
751 * DEPRECATED all Cray pointer bindings and associated code
753 * Added Fortran 2003 bindings
756 === openkim-api-v1.3.1 ========== 20Jan2014 ====================================
759 * Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
760 compilers and CYGWIN systems
762 * Added notes to INSTALL for gun 4.4 and CYGWIN systems
764 * Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
767 === openkim-api-v1.3.0 ========== 10Dec2013 ====================================
770 * change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
772 * Split .kim files and parameter files into chunks to stay under C++ supported
773 string literal length.
775 * Fix for dynamic-link compile option
777 * Some minor code fixes/updates and documentation updates
779 * Updates to `make install'
781 * Fix bug in FCC example Tests
783 * Fix/Update Templates
785 * Fix a bug in Makefile.Test
787 * Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
790 === openkim-api-v1.2.3 ========== 15Nov2013 ====================================
793 * Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
795 * Fixed a memory leak in the api (patch provided by Tobias Brink)
797 * Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
798 that this header file does not need to be installed by the `make install'
801 * Changes to Makefiles to improve portability (of `make uninstall')
803 * Some minor changes to api code to remove compiler warnings from some compilers
806 === openkim-api-v1.2.2 ========== 17Sep2013 ====================================
809 * Improved speed of make system when many Models/Tests (and Drivers) exist
811 * Improved an aspect of the api's error checking/reporting
814 === openkim-api-v1.2.1 ========== 21Jul2013 ====================================
817 * Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
820 === openkim-api-v1.2.0 ========== 12Jul2013 ====================================
823 * Documentation updates.
827 * Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
828 when the package is installed via the `make install' command.
830 * Added install and uninstall targets to the Make system.
832 * Now the build system (in dynamic-load and dynamic-link modes) hides all
833 symbols in the Model Driver and Model libraries except for the model_init()
834 function and the Model's kim descriptor string. This means that there is no
835 need to worry about symbol clashes between Models, Model Drivers, or Tests.
837 * Implemented dynamic-load, dynamic-link, and static-link build options.
839 * Make system now provides only summary information on the build process. This
840 makes the progress easier to understand. To see the actual build commands
843 * Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
845 * Now use -g, -Wall, and -pedantic by default for all compilations.
847 * Changed model_init() function conventions to simplify the scheme. This also
848 resulted in the removal of the Model or Test name from the descriptor files.
850 * Added the openkim-api-descriptor-file-match utility.
852 * Completely rewrote and streamlined the openkim-api Make system
854 * Changed directory names from trailing `s' to trailing `S'.
856 * Updated example Tests and Models to use the new get/set method routines.
858 * Added `const' to api string parameters to avoid warnings in Models and Tests
860 * Added get/set method routines to properly transfer pointers to functions
861 or methods via the api.
863 * Added support to examples for NEIGH_RVEC_H.
865 * Added the NEIGH_RVEC_H NBC method.
867 * Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
869 * Added ex_model_Cu_PF_Johnson C pair-functional model and template.
871 * Updates and bug fixes in example Models.
873 * Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
874 vc_forces_delta to the distribution.
877 === openkim-api-v1.1.1 ========== 19Aug2012 ====================================
880 * Added run_forces_numer_deriv_for_all_models script that will run and
881 summarize the results of vc_forces_numer_deriv for all available Models.
883 * Added vc_forces_numer_deriv "verification check" that can be used with any
884 Model to check the consistency of its computed forces with a numerical
885 derivative based on the Model's energy.
887 * Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
889 * Fixed a bug in the make system that occurred when using static linking that
890 would cause some Models to be incorrectly identified as "unknown"
892 * ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
893 NBC (which means they work with ALL NBC methods)
895 * Documentation updates
897 * Updated 32/64 bit switching in Fortran code for easier maintenance
899 * Moved library compile flags to end of command line to make sure all libraries
900 are correctly associated with the appropriate .so files
902 * Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
903 management and PARAM_* handling
906 === openkim-api-v1.1.0 ========== 12Jul2012 ====================================
909 * Documentation updates
911 * Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
912 This allows for easily setting the value of THIS_FILE_NAME to something
913 appropriate (short) when the default preprocessor value of __FILE__ is longer
914 that 132 characters (the max line length for Fortran)
916 * Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
919 * Changed KIM_COMPUTE and KIM_NOT_COMPUTE to KIM_COMPUTE_TRUE and
920 KIM_COMPUTE_FALSE, respectively
922 * Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
923 number of neighbors for an atom
925 * Updated api and examples to always `return' with an error code instead of
926 `exit' or `stop'. This allows the Test to handle errors and is a better
927 convention for error handling
929 * Added KIM_STATUS_MODEL_UNSUPPORTED_CONFIGURATION for cases where a
930 configuration is identified at run time as unsupported
932 * Removed requirement for a trailing `/' in environment variables (such as
935 * Added make warning if `make' is invoked from a Model directory when static
936 linking is being used.
938 * Added `make examples-force' target
940 * `make examples' only copies files; it no longer also compiles everything
942 * Changed all call-back interfaces (model_init, model_reinit, model_compute,
943 model_destroy) to be consistent: integer functions (in Fortran speak). Also
944 updated examples and templates to conform to this new interface.
946 * Added get_model_partcl_typs() and get_test_partcl_type() service routines
947 Removed get_partcl_types() routine.
949 * Added ability of a Model/Model Driver to set its particle type codes at
952 * Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
955 * Added `Temperature' to standard.kim for "temperature dependent" Models
957 * New Model Driver interface supports reading from any number of files (not
960 * Support for 001-999 particle types in Model Drivers
962 * Use $(strip ) function to avoid difficult trailing space problem in make files
964 * Rearranged and simplify compiler settings files
965 (KIM_API/*_compiler_settings.mk)
967 * Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
969 * Many improvements to Make-system portability
971 * Carriage returns are now striped from kim and parameter files during Make
973 * Improvements to the vc_forces_numer_deriv verification check
975 * Bug fixes for KIM_API_init() matching
977 * Significant clean-up/rearrangement of core api code
980 === openkim-api-v1.0.1 ========== 25Feb2012 ====================================
983 * Bug fix to ex_model_Ne_P_fastLJ
985 * Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
987 * Documentation updates
990 === openkim-api-v1.0.0 ========== 22Feb2012 ====================================
993 * Moved all examples to EXAMPLES directory and added `make examples' target.
995 * Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
997 * Renamed nearly all API functions to improve readability and comprehension.
999 * Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
1002 * Total re-work of unit handling for the API.
1004 * Added KIM_API_model_info() function for Tests to use for discovering what a
1007 * Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
1008 in one function call.
1010 * Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
1013 * Added process_dEdr and process_dE2dr2 approach for calculating general
1014 properties. Currently automatic support for `virial', `particleVirial', and
1015 `hessian' is available.
1017 * Added "unsymmetric half neighbor lists" (numberContributingParticles).
1019 * Added model/test buffers for use by Model and Test, respectively.
1021 * Improvements in dynamic linking setup.
1023 * Examples additions, improvements, and bug fixes.
1028 === openkim-api-v0.2.0 ========== 15Sep2011 ====================================
1031 * Updated documentation
1033 * Added KIM_API_report_error() service function and updated all examples
1034 and templates to use this function.
1036 * Added KIMstatus.h which contains definitions of KIM status codes.
1038 * Added KIM_API_status_msg() service routine to return a string describing a
1041 * Updated messages printed to kim.log file to be more informative.
1043 * Model KIM descriptor files are now incorporated into the Model's binary
1044 library file. This means that the file is no longer required at run time and
1045 that the Model must be recompiled after changes to the descriptor file.
1047 * Added Model Driver Templates
1049 * Added two Model Drivers and four Models based on the Model Drivers
1051 * Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
1053 * Added support for Model Drivers
1058 === openkim-api-v0.1.2 ========== 22Aug2011 ====================================
1061 * Fixed a number of bugs in the examples related to running on 64bit machines
1063 * Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
1067 === openkim-api-v0.1.1 ========== 16Aug2011 ====================================
1070 * Fixed memory handling bug associated with the service functions
1071 KIM_API_get_listAtomTypes()
1072 KIM_API_get_listParams()
1073 KIM_API_get_listFreeParams()
1074 KIM_API_get_listFixedParams()
1075 KIM_API_get_NBC_method()
1077 * Fixed bug in test_**_free_cluster.F90
1079 * Renamed `README.git' to `README_GIT' to avoid confusion with the
1080 git convention that the extension `.git' refers to a bare repository
1083 === openkim-api-v0.1.0 ========== 08Aug2011 ====================================
1086 * Added TEMPLATE files to help users create their own KIM Models.
1088 * Added a number of example Models and Tests to help users understand how to
1089 implement their own openkim-api compliant codes.
1091 * Added support for ATOM/PARTICLE types
1093 * Added support for Models to publish their parameters
1095 * Added support for Models to define a `reinit' function for use when their
1096 parameters are changed by a Test.
1098 * Improved the Makefile system in general (although, more needs to be done)
1100 * Added support for neighbor list and boundary conditions (NBC)
1102 * Added support for dynamic linking
1104 * Updated documentation
1106 * Added documentation to the standard.kim file which now describes in detail
1107 the format and content of KIM descriptor files.
1109 * Added README files to every directory. These files provide a short
1110 (hopefully helpful) description of the contents of the directory)
1113 === openkim-api-v0.0.0 =========================================================
1116 The initial release of the openkim-api package. This was first made available
1117 to participants at the Inaugural Openkim Workshop held in San Diego, CA on