kim-api  2.2.1+v2.2.1.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
NEWS
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25 # Contributors:
26 # Ryan S. Elliott
27 # Ellad B. Tadmor
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29 
30 #
31 # Release: This file is part of the kim-api-2.2.1 package.
32 #
33 
34 
35 === kim-api-2.2.1 =============== 13Dec2020 ====================================
36 
37 * replace usage of localtime() with more secure localtime_r()
38 
39 * Enable Github code scanning
40 
41 * Refactor CI to move codecov support to centos docker CI and speedup macOS CI
42 
43 * Fix build support for coverage
44 
45 * Improvements and fixes in collections management
46 
47 * Use CMake CACHE variables so kim items can override package settings
48 
49 * Added discussion of standalone portable model CMakeLists.txt files to docs
50 
51 * Eliminate a compiler warning
52 
53 * Updates to support new version of fprettyify
54 
55 * Refactor libkim-api.pc file for more standard support for relocatable
56  behavior
57 
58 * Update travis-ci badge to use .com url
59 
60 * Implement more reliable method for bash scripts to find ORIGIN
61 
62 * Fix bugs in handling of -DKIM_API_SYSTEM_*_DIR=":/dir/..." build options; Add
63  CI testing for usage of these cases.
64 
65 * Correct release date for 2.2.0 in this file (Dec -> Nov)
66 
67 
68 === kim-api-2.2.0 =============== 18Nov2020 ====================================
69 
70 * The kim-api now supports Windows. Significant additions have been made to
71  the code and CMakeLists.txt files to support building kim-api and items on
72  Windows via Cygwin and MinGW; Build on Windows requires C++17.
73  (Thanks to Alex Stukowski)
74 
75 * kim-api is now "relocatable" after install. When installed to a non-standard
76  PREFIX (with the CMAKE_INSTALL_PREFIX CMake option) the entire install tree
77  may be moved, after install, to a new location in the file system and
78  everything should still work. This uses the RPATH, ${ORIGIN}, and similar
79  mechanisms and is functioning on Linux, macOS, and Windows. (This is tested
80  in the CI.)
81 
82 * Added 'portable-model' utility which prints out an edn dictionary containing
83  information about the features and properties of a portable model. This
84  includes the list of supported compute arguments and callbacks, the
85  parameters that the model makes available at runtime, etc. The utility can
86  be found in the LIBEXEC install directory.
87 
88 * Added Push/PopDefaultPrintFunction to KIM::Log interface to support Simulator
89  specific logging behavior such as the need for MPI communication to the head
90  node for I/O operations
91 
92 * Portable Model parameter files are now guaranteed to all be found in a single
93  subdirectory. This provides uniform handling of parameter files for both
94  Portable Models and Simulator Models. New GetParameterFileDirectoryName()
95  and GetParameterFileBasename() routines have been added and
96  GetParameterFileName() has been deprecated in the KIM::ModelDriverCreate
97  interface. A new GetParameterFileBaseName() routine has been added and
98  GetParameterFileName() has been deprecated in the KIM::SimulatorModel
99  interface.
100 
101 * Update documentation to point to new https://matsci.org discourse OpenKIM
102  forum
103 
104 * Switch to minimum version 3.10 for CMake
105 
106 * Complete refactor of CMake build details to improve exported target support.
107  This required an update to how kim-api items define their CMakeLists.txt
108  files. This version remains backward compatible with item CMakeLists.txt
109  files from older versions, but support for these is deprecated and will be
110  removed in v3.
111 
112 * Added human readable CMake configuration summary log (also a detailed
113  version) which is printed at the end of the cmake configuration step
114 
115 * Added new documentation page describing CMakeLists.txt files for the various
116  kim-api item types
117 
118 * Added native CMake implementation of xxd processing which allows the package
119  to be build on systems without the xxd executable
120 
121 * The collections-management utility will now use curl if wget is not available
122  on the system
123 
124 * Added a user-agent string to wget/curl commands so downloads and queries may
125  be identified as coming from the collections-management utility
126 
127 * Improve debugging of collections-management behavior with new CM_VERBOSITY
128  environment variable and added better error messages
129 
130 * Full refactoring of travis-ci, docker, and testing implementation
131 
132 * Added support for openSUSE, ubuntu, centos, and debian to testing via docker
133 
134 * Added ubuntu_cmake310 to explicitly test build with CMake version 3.10
135 
136 * Added MinGW travis-ci testing (Thanks to Alex Stukowski)
137 
138 * Added unique build identifier to default name for config and user collection
139  files
140 
141 * Refactor and improve handling of deprecated identifiers in configuration file
142 
143 * Check for and ignore empty kim standard metadata files
144 
145 * Adopted the `fprettify` Fortran code formatter and reformat all Fortran code
146  to conform to the kim-api settings (now in .fprettify.rc). Added scripts to
147  support git-commit hook
148 
149 * Refactor #includes to satisfy include-what-you-use linter
150 
151 * Refactor initialization of pointers as best practice
152 
153 * Fix a bug in C language binding for SimulatorModel Interface
154 
155 * Fix a bug associated with the edn-cpp use of exceptions
156 
157 * Fix issues identified by Coverity Scan
158 
159 * Various fixes and improvements
160 
161 * Various documentation updates
162 
163 
164 === kim-api-2.1.3 =============== 16Aug2019 ====================================
165 
166 * Adjust kim_collections_module to work around gfortran <= 4.8 bug.
167 
168 * Fix minor bug in collections-management.
169 
170 * Improve backward compatibility support for ~/.kim-api/config file format.
171 
172 * Fix to Fortran/C mapping of KIM_LENGTH_UNIT_BOHR.
173 
174 * Fixes to Fortran documentation and cross-references.
175 
176 * Added information/links to the top level README.md
177 
178 
179 === kim-api-2.1.2 =============== 29Jul2019 ====================================
180 
181 * Fixup Fortran kim_collections_module interfaces to be consistent with c/c++.
182 
183 * Fixup collections-management for portabability to dash.
184 
185 * Improve item-wrapper.cpp.in for more standard compliant MD, MO, SM behavior.
186 
187 * Improve zsh completion install behavior.
188 
189 * Fixup Fortran c_long communication and overflow behavior.
190 
191 * Add missing testing of interface in examples/simulators/collections-example.
192 
193 * Improve example/simulators to remove warnings.
194 
195 * Fix bug in KIM::SimulatorModel::Create().
196 
197 
198 === kim-api-2.1.1 =============== 24Jul2019 ====================================
199 
200 * Refactor 'kim-api-collections-management list' code for performance.
201 
202 * Update collections-management to use 'make -j2' for improved performance.
203 
204 * Improve kim-api-collections-management handling of passwords for use with
205  sudo. Specifically, support reading of passwords with whitespace and other
206  special characters.
207 
208 * Add zsh support to activate/deactivate scripts & zsh completions.
209 
210 * Fix c_long overflow (for i386 systems) bug in Fortran kim_collections_module.
211 
212 * Rework 'kim-api-collections-management install xxx OpenKIM' behavior. Now
213  installs the latest official release archive found at
214  https://s3.openkim.org/archives/collection/. This also greatly reduces the
215  total build and install time.
216 
217 * Redefine/refactor KIM::Collections behavior for finding item names.
218  Previously, a shared library file was found, opened, and checked for
219  validity. To significantly improve performance, now simply the existence of
220  the shared library file is used to identify available item names.
221 
222 * Redefine/refactor collections-management and collections-info to remove
223  '--with-version' option.
224 
225 * Fixup and improve Fortran example codes.
226 
227 * Added reopology.org graphic of available binaries to README.md.
228 
229 
230 === kim-api-2.1.0 =============== 16Jul2019 ====================================
231 
232 * Added new KIM::SimulatorModel interface providing programatic support to
233  simulators for packaging of parameter files, input commands, and metadata
234  necessary to run a simulator's native potentials.
235 
236 * Added new KIM::Collections interface (and the supporting extensible
237  enumerations KIM::Collection and KIM::CollectionItemTypes) providing
238  programatic access to the KIM API Collections and its configuration settings.
239  (This included a refactor and removal of old_KIM_API_DIRS.*.)
240 
241 * Convert from old 'models' to 'portable-models' nomenclature for KIM API
242  collections, including environment variables, configuration file, etc. (For
243  backward compatibility, the old configuration file format is still accepted.)
244 
245 * Added support for Metadata files to (internal) KIM::SharedLibrary and
246  programatic access to these files from the new KIM::Collections interface.
247 
248 * Automatically add standard openkim.org metadata files (kimspec.edn,
249  kimprovenance.edn, and kimcite-*.bib) to an item's shared library if they
250  exist.
251 
252 * Significant documentation updates to describe the new interfaces as well as
253  changing to the the Portable Model (PM) and Simulator Model (SM) terminology.
254 
255 * Added explicit documentation of Fortran interfaces for routines called by the
256  KIM API (ModelCreate, ModelDestroy, GetNeighborList, etc.).
257 
258 * Added mention of "Toy Models" to documentation.
259 
260 * Added data-type error checking for Portable Model parameter get/set routines;
261  Thanks to Daniel Schopf.
262 
263 * Bug fixes and improvements to kim-api-collections-management script
264 
265 * Added support for Include-What-You-Use (IWYU).
266 
267 * Added (internal) copy of edn-cpp parser for use with SMs.
268 
269 * Updated existing examples as necessary and added SM example.
270 
271 * Added new "unit-test" examples of simulators using the Collections and SM
272  interfaces.
273 
274 * Improvement to pkgconfig support; Thanks to Christoph Junghans.
275 
276 * Added new tests to CI, based on INSTALL file.
277 
278 * Updates create-package script and added run-cmds-from-install script.
279 
280 * Added .clang-format-hook-ignore file and mechanism (specifically for edn-cpp).
281 
282 * Updates to better support binary installation on various systems.
283 
284 * Added CDDL headers to files that did not have them.
285 
286 
287 === kim-api-2.0.2 =============== 28Mar2019 ====================================
288 
289 * Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
290  open source conventions
291 
292 * Added a simulator model example
293 
294 * Refactored support for simulator models: separated from models in collections.
295  Updated collections-management utility appropriately
296 
297 * Updated calls to scanf() for better security
298 
299 * Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
300 
301 * Added build options to set system collection directories
302 
303 * Added support for colon-separated list of directories for user and system
304  collections
305 
306 * Added '--version' flag to utilities
307 
308 * Update bash completion to work with old and new bash
309 
310 * Improve robustness of creat-package script
311 
312 * Updated badges to point to 'devel' branch & create-package to change to
313  'master' branch for release commit
314 
315 * Added coverity & codecov badges to README.md
316 
317 * Added vX.Y.Z-git tags to git repo and updated create-package script
318 
319 * Added NEWS file to Doxygen documentation & updated doxygen settings
320 
321 * Improved version build metadata string using "git describe"
322 
323 * Updated link flags for codecov
324 
325 
326 === kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
327 
328 * Fix bug in KIM::SemVer::ParseSemVer()
329 
330 * Various minor fixes to address issues identified by Coverity Scan
331 
332 * Fix version string in libkim-api-v2.pc to conform to RPM schema
333 
334 * Added advanced CMake options for compilers used to build items after install
335 
336 * Added item install prefix CMake variables to cache; helps with packaging
337 
338 * Remove dead code in top level CMakeLists.txt
339 
340 
341 === kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
342 
343 * Update main documentation.
344 
345 * Added function level documentation with cross-references and input/output
346  argument descriptions.
347 
348 * Added Known() member function to extensible enumerations.
349 
350 * Extensible enumeration default constructors now create uninitialized objects.
351 
352 * Rename C++ *.String() routines to *.ToString.
353 
354 * Added 'recursive' to all Fortran routines (for better thread safety).
355 
356 * Added support files for readthedocs.
357 
358 * Additions and fixes for collections-management utility.
359 
360 * Travis CI configuration updates.
361 
362 * Avoid some compiler warnings from clang.
363 
364 * Various CMake fixes/adjustments.
365 
366 * Various bug fixes in api code.
367 
368 
369 === kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
370 
371 * Updated and added examples to work with and demonstrate api changes/additions
372 
373 * Implemented new KIM::Model::IsRoutinePresent interface to facilitate
374  backward compatibility
375 
376 * Updated SpeciesName entries for recently renamed periodic table elements
377 
378 * Added WriteParameterizedModel Routine and assoc. code
379 
380 * Added Extension Routine to allow for non-standard extensions
381 
382 * Added Push/Pop Default Verbosity to KIM::Log
383 
384 * Changed Release default LogVerbosity to INFORMATION
385 
386 * Added ctest test for items to check that shared libraries can be opened
387 
388 * Improvements to Collections-Management behavior
389 
390 * Removed unnecessary header files
391 
392 * Updated travis.ci configuration
393 
394 * Refactored some backend implementation to improve maintainability, including
395  significant new KIM_SharedLibrarySchema interface
396 
397 * Improvements to CMake build system
398 
399 * Updated create-package script
400 
401 * Updated documentation
402 
403 
404 === kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
405 
406 * CMake build and test replaces custom Makefiles; added travis, gitlab CI
407  A big thank you to Richard Berger and Christoph Junghans for their major
408  contribution in getting the KIM API package converted to CMake.
409 
410 * Using standard pkg-config setup instead of custom kim-api-v2-build-config
411 
412 * Major restructuring of the Fortran bindings.
413 
414 * Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
415 
416 * Add Model routine and callback prototypes in KIM_Functions header
417 
418 * Add a required unique name field for parameters.
419 
420 * Refactoring of neighbor list hints. The half-list hint had a fatal flaw
421  which required its removal.
422 
423 * Significant refactoring of the logging macros in C and C++. Complete removal
424  of all preprocessing for Fortran.
425 
426 * Redesign of release and packaging script and process.
427 
428 * Added a couple of new models that illustrate various features of the api.
429 
430 * Removed v1 to v2 porting guide.
431 
432 * "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
433  contains tables with a complete listing of all kim-api identifiers in all
434  languages and their mappings between one-another.
435 
436 * Complete update of documentation. Rework and correct definition of
437  partialVirial and partialParticleVirial.
438 
439 * Added emacs cc-mode settings
440 
441 * Added clang-format settings, scripts, and git-hooks for C/C++
442 
443 * Complete review of C++, C, and Fortran bindings for consistency
444 
445 * Many other small and not-so-small changes.
446 
447 
448 === kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
449 
450 * Fix memory leak and uninitialized variables id'ed by coverity scan.
451 
452 * Update docs and porting guide for neighbor list hints changes.
453 
454 * Implement neighbor list hints (paddingNeighbor & halfList); update examples.
455 
456 * Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
457 
458 * Add C++ LennardJones_Ar stand-alone model example.
459 
460 * Fix compatibility checking code in example simulators.
461 
462 * Update LennardJones612 example to use 1/2 list short-circuit mechanism.
463 
464 * Fix collections-info to set log verbosity to debug.
465 
466 * Use NULL consistently to initialize pointers in implemenation code.
467 
468 
469 === kim-api-v1.9.7 ============== 07Jul2018 ====================================
470 
471 * Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
472 
473 * Fix support for required-compute of forces in utility-forces-numer-deriv.
474 
475 * Fix identifiers in bash-completions.
476 
477 * Added --log option to CM 'list' command.
478 
479 * Use fixed seed for random number generator in utility-forces-numer-deriv.
480 
481 
482 === kim-api-v2.0.0-beta.0 ======= 26Jun2018 ====================================
483 
484 * Added a 'Guide for porting content from KIM API v1 to v2' to documentation
485 
486 * Documentation updates and improvements
487 
488 * Implemented extensive error checking and logging within the API
489 
490 * Separated Model object into ComputeArguments and Model
491 
492 * Many refinements and corrections to the new API
493 
494 
495 === kim-api-v1.9.6 ============== 26Jun2018 ====================================
496 
497 * Updated INSTALL file
498 
499 * Added 'install OpenKIM_with_history' and 'install --force' options to the
500  collections-management utility
501 
502 * Collections-management utility now cleanly handles an unaccessible openkim.org
503 
504 * Fixed bugs and made improvements to build system
505 
506 
507 === kim-api-v1.9.5 ============== 12May2018 ====================================
508 
509 * Update build system to support parallel builds (make -j).
510 
511 * Fixed bug in collections-management for "install OpenKIM" option.
512 
513 * Update INSTALL file
514 
515 
516 === kim-api-v1.9.4 ============== 09Apr2018 ====================================
517 
518 * Added '--interactive' option to collections-management utility.
519 
520 * Added Travis-CI support through GitHub.
521 
522 * Fixed bugs in collections-management utility.
523 
524 * Fixed bugs in build system.
525 
526 
527 === kim-api-v1.9.3 ============== 10Feb2018 ====================================
528 
529 * Major additions to options supported by the kim-api-v1-collections-management
530  utility. Added options include:
531 
532  - list --with-version
533  - install CWD
534  - install environment
535  - reinstall
536  - remove-all
537 
538  Additionally, items can now be installed from a source directory on the local
539  file system. Also, multiple items can be listed on a single command line.
540 
541 * Added a kim-api-v1-activate/deactivate utilities (available when installed to
542  non-standard locations). These add/remove to PATH and setup the bash
543  completions.
544 
545 * Added bash completions for user utilities
546 
547 * Added support for the sysconfdir variable to the build system
548 
549 * Updated utilities to more closely follow docopt.org specifications.
550 
551 * Model/Driver 'make install-*' now respect the DESTDIR environment variable.
552 
553 * Added support for Model/Driver install to the environment collection.
554 
555 * Add tracking of Parameterized Model parameter file file-names within the
556  generated model shared library.
557 
558 * Rename vc_* examples to utility_* to avoid confusion with new openkim.org
559  Verification Checks.
560 
561 * Various minor typo and bug fixes.
562 
563 
564 === kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
565 
566 * Complete rewrite of the kim-api package. Released as "alpha" to solicit
567  feedback from the user community. Changes (possibly incompatible) will be
568  made based on user experience.
569 
570 * Major changes are summarized below.
571 
572 * NBCs have been eliminated.
573 
574 * KIM descriptor files have been eliminated.
575 
576 * A new memory management scheme has been adopted.
577 
578 * The api is now much more consistent within each language (C++, C, Fortran)
579  binding.
580 
581 * Improved logging facilities and error messages.
582 
583 * Added Doxygen generated documentation. (See the docs for more details on
584  this version of the kim-api and on the differences between v1 and v2.)
585 
586 
587 === kim-api-v1.9.2 ============== 08Oct2017 ====================================
588 
589 * Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
590  is for compatibility with the recent removal of tgz support on openkim.org.
591 
592 
593 === kim-api-v1.9.1 ============== 27Sep2017 ====================================
594 
595 * Adjustment to build config flags to make cross-language compiling a bit more
596  flexible
597 
598 * Fix subtle Fortran implementation bug associated with non-short-circuit
599  conditional fortran behavior
600 
601 * Remove 'make install-set-default-to-v1' target and update INSTALL instructions
602  No longer have kim-api-build-config, etc. Now they explicitly include the
603  major version number. For example, kim-api-v1-build-config
604 
605 * Make some shell code more portable
606 
607 * Fixed some other installation details
608 
609 * Fixed missing semi-colon in makefile
610 
611 
612 === kim-api-v1.9.0 ============== 09Sep2017 ====================================
613 
614 * Added collections-management user utility to manage build and install
615  of OpenKIM Models and Model Drivers
616 
617 * Added support for "Simulator Models"
618 
619 * Dramatically simplify build system by removing supported scenarios.
620  + Removed static-link build option
621  + Removed "in-place" build scenario
622  + Added support and use of the libexec directory to distinguish between
623  user executable utilities and program executable utilities
624 
625 * Incorporate fix to configure script contributed by Christoph Junghans
626 
627 * Fix minor bugs in KIM_API_DIRS
628 
629 
630 === kim-api-v1.8.2 ============== 17Apr2017 ====================================
631 
632 * Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
633 
634 
635 === kim-api-v1.8.1 ============== 28Mar2017 ====================================
636 
637 * Added additional deprecations in prep. for kim-api-v2.0.0
638 
639 * Fixed other minor bugs in create_package script and build-config.cpp
640 
641 * Fixed bug in Makefile.ParameterizedModel
642 
643 * Fixed formatting error in Makefiles created by build-config utility
644 
645 * Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
646 
647 
648 === kim-api-v1.8.0 ============== 17Jan2017 ====================================
649 
650 * Deprecated significatant features and methods in prep. for kim-api-v2.0.0
651 
652 * Updated `build-config' utility with more flexible options
653 
654 * Removed `KIM_LINK = dynamic-link' option of build system
655 
656 * Modified/Fixed/Improved the configuration and build system
657 
658 * Added `collections-info' utility for querying environment variables,
659  user configuration files, and lists of models and model drivers in the
660  collections.
661 
662 
663 === kim-api-v1.7.3 ============== 02Jun2016 ====================================
664 
665 * Added a `configure' script for setting up Makefile.KIM_Config
666 
667 * Added support for environment-variable-collection
668 
669 * Added support for user_config_file_dir_name setting
670 
671 * Documentation update/improvements
672 
673 * Minor improvements to error messages
674 
675 * Added `make add-OpenKIM' feature
676 
677 * Added `make help' feature
678 
679 * Added release dates to NEWS file
680 
681 * Bug fixs
682 
683 
684 === kim-api-v1.7.2 ============== 25Jun2015 ====================================
685 
686 * Updated copyright years in files
687 
688 * Rewrite of INSTALL file to provide a significantly improved description and
689  instructions for build and installation of the KIM API
690 
691 * Fix error checking bug in ex_test_Ar_multiple_models Test
692 
693 * Improve the build and install process to better follow standard conventions
694  for library soname values.
695 
696 * Increased the maximum number of species supported by the example Tests to 200
697 
698 * Fixed bug in example Tests related to maximum number of supported species
699 
700 * Updated 'make clean' so that it removes all old library files in the source
701  directories
702 
703 * Fixed default make target for Parameterized Models
704 
705 * Fixed a bug in the installation process associated with the use of DESTDIR
706 
707 * Fixed a regular expression error in the build system
708 
709 * Fixed memory leak in internal KIM API code
710 
711 * Added sanity check to make sure that the 'xxd' utility is available
712 
713 * vc_forces_numer_deriv now outputs configuration energy
714 
715 * Documentation updates
716 
717 
718 === kim-api-v1.7.1 ============== 02Dec2014 ====================================
719 
720 * Bug fix for build of parameterized Models
721 
722 * Minor documentation update
723 
724 
725 === kim-api-v1.7.0 ============== 21Nov2014 ====================================
726 
727 * Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
728 
729 * Added LINKSOPATH variable to build system for advanced system install options
730 
731 * Added KIM_API_get_kim_str_len() routine
732 
733 * Fix inconsistencies in ex_test_Ar_multiple_models
734 
735 * remove build system dependency on 'ed' program
736 
737 * Update 'make add-*' mechanism to use permanent url's for openkim.org items
738 
739 * Fix bugs and minor improvements to build system
740 
741 * Minor improvements to error messages
742 
743 * Updates to documentation
744 
745 
746 === kim-api-v1.6.3 ============== 18Aug2014 ====================================
747 
748 * Fixed install to recognize := and = in Makefiles
749 
750 * Removed use of non-standard strtok_r()
751 
752 * Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
753 
754 * Fixes build system
755 
756 
757 === kim-api-v1.6.2 ============== 11Aug2014 ====================================
758 
759 * Correct KIM_API_Versions in template ".kim" files
760 
761 * Update make clean target for Model Drivers and Models
762 
763 * All template ".kim" files now generated from "legos" in git repo
764 
765 
766 === kim-api-v1.6.1 ============== 08Aug2014 ====================================
767 
768 * Updates to Model Driver and Model template files (in docs/templates/)
769 
770 * Changed the internal mechanism for handling parameter files to remove a
771  security hole associated with the use of tmpnam().
772 
773 * Revise kim.log entries to be more informative and clear
774 
775 * Bug fixes in build system, examples, and build system
776 
777 * Other small documentation and code improvements
778 
779 
780 === kim-api-v1.6.0 ============== 28Jul2014 ====================================
781 
782 * Documentation updates.
783 
784 * Model Driver Template and training model examples are now generated from a
785  single consistent "lego" file. Training examples are not included in
786  official release tarballs.
787 
788 * Add SemVer version routines to the KIM API. ".kim" files now require a
789  KIM_API_Version line to indicate the Model/Simulator compatibility.
790 
791 * Change terminology from "Particle Types" to "Particle Species" for clarity
792  and uniformity with the rest of the OpenKIM project. (See
793  KIM_API_get_model_species(), and similar routines.)
794 
795 * Changed KIM API routines that output strings. This avoids output of arrays
796  of strings, which are unnatural in C/C++ and allows for more natural handling
797  of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
798  KIM_API_get_params(), and similar routines.)
799 
800 * Simulators and OpenKIM Tests now should use the "kim-api-build-config"
801  utility in order to obtain appropriate compiler and linker flags for building
802  against the KIM API.
803 
804 * Changed CCFLAGS to more standard CFLAGS Make variable.
805 
806 * Build system now provides ability to download Model Drivers and Models
807  directly from openkim.org.
808 
809 * Change package name from "openkim-api" to "kim-api".
810 
811 * Rename this file (CHANGELOG) to NEWS, to better follow convention.
812 
813 * A complete restructuring of the package directory layout has been performed
814  in order to conform to more standard practices and to better reflect the
815  intended behavior and use of the package components.
816 
817 * Model Drivers now specify the name of their ".kim" file template in their
818  Makefile. The conventional name for these files now ends in ".kim.tpl".
819 
820 * Model ".kim" file name is now specified in the Makefile and can be anything
821  the developer desires.
822 
823 * Remove deprecated KIM_API_init() routine.
824 
825 * Remove deprecated Fortran Cray pointer support.
826 
827 
828 === openkim-api-v1.5.0 ========== 16Jul2014 ====================================
829 
830 * Documentation updates, including an extensive discussion of the installation
831  process in INSTALL.
832 
833 * Update examples to use KIM_API_file_init() and name their ".kim" file
834  "descriptor.kim" in accordance with the new convention of the openkim.org
835  processing pipeline.
836 
837 * Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
838  primary openkim.org Tests should initialize the KIM API and specify their KIM
839  descriptor files.
840 
841 * Portability fixes for the make system
842 
843 * Move away from naming various files based on the item (Model Driver, Model,
844  Test) name. Instead establish standard names for each item type.
845 
846 * Added Makefile.Version to provided the make system with version information
847  and set policy (based on SemVer 2.0.0) for how, when, and why to update the
848  version.
849 
850 * Significant updates to the make system. Primarily associated with
851  installation of the KIM API to a system-wide location, and its use once
852  installed there.
853 
854 
855 === openkim-api-v1.4.1 ========== 19May2014 ====================================
856 
857 
858 * Added additional compiler flags to support differences between GCC and INTEL
859 
860 * Fixed examples that used set_data when they should have used set_method.
861 
862 * Added LDLIBS flag in split functionality of LDFLAGS variable more
863  appropriately. This is more inline with standard Makefile practice.
864 
865 * Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
866 
867 * Added KIM_MAKE_VERBOSITY setting to Make system
868 
869 * Updates to README, INSTALL, and Templates
870 
871 * Make system improvements and fixes
872 
873 * Added checks for known buggy compilers
874 
875 * Updated and corrected documentation
876 
877 
878 === openkim-api-v1.4.0 ========== 26Feb2014 ====================================
879 
880 
881 * Improvements to robustness and efficiency of MAKE_SYSTEM
882 
883 * Updated copyright years in files
884 
885 * Updated documentation to reflect new Fortran 2003 bindings
886 
887 * Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
888 
889 * Made significant improvement to neighbor list handling in example Tests
890 
891 * Made some minor improvements to example Models and Model Drivers
892 
893 * Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
894 
895 * DEPRECATED all Cray pointer bindings and associated code
896 
897 * Added Fortran 2003 bindings
898 
899 
900 === openkim-api-v1.3.1 ========== 20Jan2014 ====================================
901 
902 
903 * Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
904  compilers and CYGWIN systems
905 
906 * Added notes to INSTALL for gun 4.4 and CYGWIN systems
907 
908 * Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
909 
910 
911 === openkim-api-v1.3.0 ========== 10Dec2013 ====================================
912 
913 
914 * change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
915 
916 * Split .kim files and parameter files into chunks to stay under C++ supported
917  string literal length.
918 
919 * Fix for dynamic-link compile option
920 
921 * Some minor code fixes/updates and documentation updates
922 
923 * Updates to `make install'
924 
925 * Fix bug in FCC example Tests
926 
927 * Fix/Update Templates
928 
929 * Fix a bug in Makefile.Test
930 
931 * Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
932 
933 
934 === openkim-api-v1.2.3 ========== 15Nov2013 ====================================
935 
936 
937 * Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
938 
939 * Fixed a memory leak in the api (patch provided by Tobias Brink)
940 
941 * Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
942  that this header file does not need to be installed by the `make install'
943  command.
944 
945 * Changes to Makefiles to improve portability (of `make uninstall')
946 
947 * Some minor changes to api code to remove compiler warnings from some compilers
948 
949 
950 === openkim-api-v1.2.2 ========== 17Sep2013 ====================================
951 
952 
953 * Improved speed of make system when many Models/Tests (and Drivers) exist
954 
955 * Improved an aspect of the api's error checking/reporting
956 
957 
958 === openkim-api-v1.2.1 ========== 21Jul2013 ====================================
959 
960 
961 * Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
962 
963 
964 === openkim-api-v1.2.0 ========== 12Jul2013 ====================================
965 
966 
967 * Documentation updates.
968 
969 * Various bug fixes.
970 
971 * Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
972  when the package is installed via the `make install' command.
973 
974 * Added install and uninstall targets to the Make system.
975 
976 * Now the build system (in dynamic-load and dynamic-link modes) hides all
977  symbols in the Model Driver and Model libraries except for the model_init()
978  function and the Model's kim descriptor string. This means that there is no
979  need to worry about symbol clashes between Models, Model Drivers, or Tests.
980 
981 * Implemented dynamic-load, dynamic-link, and static-link build options.
982 
983 * Make system now provides only summary information on the build process. This
984  makes the progress easier to understand. To see the actual build commands
985  use `make -n'.
986 
987 * Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
988 
989 * Now use -g, -Wall, and -pedantic by default for all compilations.
990 
991 * Changed model_init() function conventions to simplify the scheme. This also
992  resulted in the removal of the Model or Test name from the descriptor files.
993 
994 * Added the openkim-api-descriptor-file-match utility.
995 
996 * Completely rewrote and streamlined the openkim-api Make system
997 
998 * Changed directory names from trailing `s' to trailing `S'.
999 
1000 * Updated example Tests and Models to use the new get/set method routines.
1001 
1002 * Added `const' to api string parameters to avoid warnings in Models and Tests
1003 
1004 * Added get/set method routines to properly transfer pointers to functions
1005  or methods via the api.
1006 
1007 * Added support to examples for NEIGH_RVEC_H.
1008 
1009 * Added the NEIGH_RVEC_H NBC method.
1010 
1011 * Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
1012 
1013 * Added ex_model_Cu_PF_Johnson C pair-functional model and template.
1014 
1015 * Updates and bug fixes in example Models.
1016 
1017 * Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
1018  vc_forces_delta to the distribution.
1019 
1020 
1021 === openkim-api-v1.1.1 ========== 19Aug2012 ====================================
1022 
1023 
1024 * Added run_forces_numer_deriv_for_all_models script that will run and
1025  summarize the results of vc_forces_numer_deriv for all available Models.
1026 
1027 * Added vc_forces_numer_deriv "verification check" that can be used with any
1028  Model to check the consistency of its computed forces with a numerical
1029  derivative based on the Model's energy.
1030 
1031 * Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
1032 
1033 * Fixed a bug in the make system that occurred when using static linking that
1034  would cause some Models to be incorrectly identified as "unknown"
1035 
1036 * ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
1037  NBC (which means they work with ALL NBC methods)
1038 
1039 * Documentation updates
1040 
1041 * Updated 32/64 bit switching in Fortran code for easier maintenance
1042 
1043 * Moved library compile flags to end of command line to make sure all libraries
1044  are correctly associated with the appropriate .so files
1045 
1046 * Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
1047  management and PARAM_* handling
1048 
1049 
1050 === openkim-api-v1.1.0 ========== 12Jul2012 ====================================
1051 
1052 
1053 * Documentation updates
1054 
1055 * Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
1056  This allows for easily setting the value of THIS_FILE_NAME to something
1057  appropriate (short) when the default preprocessor value of __FILE__ is longer
1058  that 132 characters (the max line length for Fortran)
1059 
1060 * Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
1061  `metal' unit system
1062 
1063 * Changed KIM_COMPUTE and KIM_NOT_COMPUTE to KIM_COMPUTE_TRUE and
1064  KIM_COMPUTE_FALSE, respectively
1065 
1066 * Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
1067  number of neighbors for an atom
1068 
1069 * Updated api and examples to always `return' with an error code instead of
1070  `exit' or `stop'. This allows the Test to handle errors and is a better
1071  convention for error handling
1072 
1073 * Added KIM_STATUS_MODEL_UNSUPPORTED_CONFIGURATION for cases where a
1074  configuration is identified at run time as unsupported
1075 
1076 * Removed requirement for a trailing `/' in environment variables (such as
1077  $KIM_DIR)
1078 
1079 * Added make warning if `make' is invoked from a Model directory when static
1080  linking is being used.
1081 
1082 * Added `make examples-force' target
1083 
1084 * `make examples' only copies files; it no longer also compiles everything
1085 
1086 * Changed all call-back interfaces (model_init, model_reinit, model_compute,
1087  model_destroy) to be consistent: integer functions (in Fortran speak). Also
1088  updated examples and templates to conform to this new interface.
1089 
1090 * Added get_model_partcl_typs() and get_test_partcl_type() service routines
1091  Removed get_partcl_types() routine.
1092 
1093 * Added ability of a Model/Model Driver to set its particle type codes at
1094  runtime
1095 
1096 * Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
1097  directories
1098 
1099 * Added `Temperature' to standard.kim for "temperature dependent" Models
1100 
1101 * New Model Driver interface supports reading from any number of files (not
1102  strings)
1103 
1104 * Support for 001-999 particle types in Model Drivers
1105 
1106 * Use $(strip ) function to avoid difficult trailing space problem in make files
1107 
1108 * Rearranged and simplify compiler settings files
1109  (KIM_API/*_compiler_settings.mk)
1110 
1111 * Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
1112 
1113 * Many improvements to Make-system portability
1114 
1115 * Carriage returns are now striped from kim and parameter files during Make
1116 
1117 * Improvements to the vc_forces_numer_deriv verification check
1118 
1119 * Bug fixes for KIM_API_init() matching
1120 
1121 * Significant clean-up/rearrangement of core api code
1122 
1123 
1124 === openkim-api-v1.0.1 ========== 25Feb2012 ====================================
1125 
1126 
1127 * Bug fix to ex_model_Ne_P_fastLJ
1128 
1129 * Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
1130 
1131 * Documentation updates
1132 
1133 
1134 === openkim-api-v1.0.0 ========== 22Feb2012 ====================================
1135 
1136 
1137 * Moved all examples to EXAMPLES directory and added `make examples' target.
1138 
1139 * Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
1140 
1141 * Renamed nearly all API functions to improve readability and comprehension.
1142 
1143 * Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
1144  KIM_API_get_neigh.
1145 
1146 * Total re-work of unit handling for the API.
1147 
1148 * Added KIM_API_model_info() function for Tests to use for discovering what a
1149  Model supports.
1150 
1151 * Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
1152  in one function call.
1153 
1154 * Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
1155  file "on-the-fly".
1156 
1157 * Added process_dEdr and process_dE2dr2 approach for calculating general
1158  properties. Currently automatic support for `virial', `particleVirial', and
1159  `hessian' is available.
1160 
1161 * Added "unsymmetric half neighbor lists" (numberContributingParticles).
1162 
1163 * Added model/test buffers for use by Model and Test, respectively.
1164 
1165 * Improvements in dynamic linking setup.
1166 
1167 * Examples additions, improvements, and bug fixes.
1168 
1169 * Bug fixes.
1170 
1171 
1172 === openkim-api-v0.2.0 ========== 15Sep2011 ====================================
1173 
1174 
1175 * Updated documentation
1176 
1177 * Added KIM_API_report_error() service function and updated all examples
1178  and templates to use this function.
1179 
1180 * Added KIMstatus.h which contains definitions of KIM status codes.
1181 
1182 * Added KIM_API_status_msg() service routine to return a string describing a
1183  given status code.
1184 
1185 * Updated messages printed to kim.log file to be more informative.
1186 
1187 * Model KIM descriptor files are now incorporated into the Model's binary
1188  library file. This means that the file is no longer required at run time and
1189  that the Model must be recompiled after changes to the descriptor file.
1190 
1191 * Added Model Driver Templates
1192 
1193 * Added two Model Drivers and four Models based on the Model Drivers
1194 
1195 * Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
1196 
1197 * Added support for Model Drivers
1198 
1199 * Bug fixes
1200 
1201 
1202 === openkim-api-v0.1.2 ========== 22Aug2011 ====================================
1203 
1204 
1205 * Fixed a number of bugs in the examples related to running on 64bit machines
1206 
1207 * Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
1208  machines
1209 
1210 
1211 === openkim-api-v0.1.1 ========== 16Aug2011 ====================================
1212 
1213 
1214 * Fixed memory handling bug associated with the service functions
1215  KIM_API_get_listAtomTypes()
1216  KIM_API_get_listParams()
1217  KIM_API_get_listFreeParams()
1218  KIM_API_get_listFixedParams()
1219  KIM_API_get_NBC_method()
1220 
1221 * Fixed bug in test_**_free_cluster.F90
1222 
1223 * Renamed `README.git' to `README_GIT' to avoid confusion with the
1224  git convention that the extension `.git' refers to a bare repository
1225 
1226 
1227 === openkim-api-v0.1.0 ========== 08Aug2011 ====================================
1228 
1229 
1230 * Added TEMPLATE files to help users create their own KIM Models.
1231 
1232 * Added a number of example Models and Tests to help users understand how to
1233  implement their own openkim-api compliant codes.
1234 
1235 * Added support for ATOM/PARTICLE types
1236 
1237 * Added support for Models to publish their parameters
1238 
1239 * Added support for Models to define a `reinit' function for use when their
1240  parameters are changed by a Test.
1241 
1242 * Improved the Makefile system in general (although, more needs to be done)
1243 
1244 * Added support for neighbor list and boundary conditions (NBC)
1245 
1246 * Added support for dynamic linking
1247 
1248 * Updated documentation
1249 
1250 * Added documentation to the standard.kim file which now describes in detail
1251  the format and content of KIM descriptor files.
1252 
1253 * Added README files to every directory. These files provide a short
1254  (hopefully helpful) description of the contents of the directory)
1255 
1256 
1257 === openkim-api-v0.0.0 =========================================================
1258 
1259 
1260 The initial release of the openkim-api package. This was first made available
1261 to participants at the Inaugural Openkim Workshop held in San Diego, CA on
1262 Feb. 26-27, 2011.