kim-api  2.0.3-git+v2.0.2-git-14-gf1578e2f.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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26 # Ryan S. Elliott
27 # Ellad B. Tadmor
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33 
34 
35 === kim-api-2.0.2 =============== 28Mar2019 ====================================
36 
37 * Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
38  open source conventions
39 
40 * Added a simulator model example
41 
42 * Refactored support for simulator models: separated from models in collections.
43  Updated collections-management utility appropriately
44 
45 * Updated calls to scanf() for better security
46 
47 * Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
48 
49 * Added build options to set system collection directories
50 
51 * Added support for colon-separated list of directories for user and system
52  collections
53 
54 * Added '--version' flag to utilities
55 
56 * Update bash completion to work with old and new bash
57 
58 * Improve robustness of creat-package script
59 
60 * Updated badges to point to 'devel' branch & create-package to change to
61  'master' branch for release commit
62 
63 * Added coverity & codecov badges to README.md
64 
65 * Added vX.Y.Z-git tags to git repo and updated create-package script
66 
67 * Added NEWS file to Doxygen documentation & updated doxygen settings
68 
69 * Improved version build metadata string using "git describe"
70 
71 * Updated link flags for codecov
72 
73 
74 === kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
75 
76 * Fix bug in KIM::SemVer::ParseSemVer()
77 
78 * Various minor fixes to address issues identified by Coverity Scan
79 
80 * Fix version string in libkim-api-v2.pc to conform to RPM schema
81 
82 * Added advanced CMake options for compilers used to build items after install
83 
84 * Added item install prefix CMake variables to cache; helps with packaging
85 
86 * Remove dead code in top level CMakeLists.txt
87 
88 
89 === kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
90 
91 * Update main documentation.
92 
93 * Added function level documentation with cross-references and input/output
94  argument descriptions.
95 
96 * Added Known() member function to extensible enumerations.
97 
98 * Extensible enumeration default constructors now create uninitialized objects.
99 
100 * Rename C++ *.String() routines to *.ToString.
101 
102 * Added 'recursive' to all Fortran routines (for better thread safety).
103 
104 * Added support files for readthedocs.
105 
106 * Additions and fixes for collections-management utility.
107 
108 * Travis CI configuration updates.
109 
110 * Avoid some compiler warnings from clang.
111 
112 * Various CMake fixes/adjustments.
113 
114 * Various bug fixes in api code.
115 
116 
117 === kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
118 
119 * Updated and added examples to work with and demonstrate api changes/additions
120 
121 * Implemented new KIM::Model::IsRoutinePresent interface to facilitate
122  backward compatibility
123 
124 * Updated SpeciesName entries for recently renamed periodic table elements
125 
126 * Added WriteParameterizedModel Routine and assoc. code
127 
128 * Added Extension Routine to allow for non-standard extensions
129 
130 * Added Push/Pop Default Verbosity to KIM::Log
131 
132 * Changed Release default LogVerbosity to INFORMATION
133 
134 * Added ctest test for items to check that shared libraries can be opened
135 
136 * Improvements to Collections-Management behavior
137 
138 * Removed unnecessary header files
139 
140 * Updated travis.ci configuration
141 
142 * Refactored some backend implementation to improve maintainability, including
143  significant new KIM_SharedLibrarySchema interface
144 
145 * Improvements to CMake build system
146 
147 * Updated create-package script
148 
149 * Updated documentation
150 
151 
152 === kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
153 
154 * CMake build and test replaces custom Makefiles; added travis, gitlab CI
155  A big thank you to Richard Berger and Christoph Junghans for their major
156  contribution in getting the KIM API package converted to CMake.
157 
158 * Using standard pkg-config setup instead of custom kim-api-v2-build-config
159 
160 * Major restructuring of the Fortran bindings.
161 
162 * Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
163 
164 * Add Model routine and callback prototypes in KIM_Functions header
165 
166 * Add a required unique name field for parameters.
167 
168 * Refactoring of neighbor list hints. The half-list hint had a fatal flaw
169  which required its removal.
170 
171 * Significant refactoring of the logging macros in C and C++. Complete removal
172  of all preprocessing for Fortran.
173 
174 * Redesign of release and packaging script and process.
175 
176 * Added a couple of new models that illustrate various features of the api.
177 
178 * Removed v1 to v2 porting guide.
179 
180 * "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
181  contains tables with a complete listing of all kim-api identifiers in all
182  languages and their mappings between one-another.
183 
184 * Complete update of documentation. Rework and correct definition of
185  partialVirial and partialParticleVirial.
186 
187 * Added emacs cc-mode settings
188 
189 * Added clang-format settings, scripts, and git-hooks for C/C++
190 
191 * Complete review of C++, C, and Fortran bindings for consistency
192 
193 * Many other small and not-so-small changes.
194 
195 
196 === kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
197 
198 * Fix memory leak and uninitialized variables id'ed by coverity scan.
199 
200 * Update docs and porting guide for neighbor list hints changes.
201 
202 * Implement neighbor list hints (paddingNeighbor & halfList); update examples.
203 
204 * Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
205 
206 * Add C++ LennardJones_Ar stand-alone model example.
207 
208 * Fix compatibility checking code in example simulators.
209 
210 * Update LennardJones612 example to use 1/2 list short-circuit mechanism.
211 
212 * Fix collections-info to set log verbosity to debug.
213 
214 * Use NULL consistently to initialize pointers in implemenation code.
215 
216 
217 === kim-api-v1.9.7 ============== 07Jul2018 ====================================
218 
219 * Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
220 
221 * Fix support for required-compute of forces in utility-forces-numer-deriv.
222 
223 * Fix identifiers in bash-completions.
224 
225 * Added --log option to CM 'list' command.
226 
227 * Use fixed seed for random number generator in utility-forces-numer-deriv.
228 
229 
230 === kim-api-v2.0.0-beta.0 ======= 26Jun2018 ====================================
231 
232 * Added a 'Guide for porting content from KIM API v1 to v2' to documentation
233 
234 * Documentation updates and improvements
235 
236 * Implemented extensive error checking and logging within the API
237 
238 * Separated Model object into ComputeArguments and Model
239 
240 * Many refinements and corrections to the new API
241 
242 
243 === kim-api-v1.9.6 ============== 26Jun2018 ====================================
244 
245 * Updated INSTALL file
246 
247 * Added 'install OpenKIM_with_history' and 'install --force' options to the
248  collections-management utility
249 
250 * Collections-management utility now cleanly handles an unaccessible openkim.org
251 
252 * Fixed bugs and made improvements to build system
253 
254 
255 === kim-api-v1.9.5 ============== 12May2018 ====================================
256 
257 * Update build system to support parallel builds (make -j).
258 
259 * Fixed bug in collections-management for "install OpenKIM" option.
260 
261 * Update INSTALL file
262 
263 
264 === kim-api-v1.9.4 ============== 09Apr2018 ====================================
265 
266 * Added '--interactive' option to collections-management utility.
267 
268 * Added Travis-CI support through GitHub.
269 
270 * Fixed bugs in collections-management utility.
271 
272 * Fixed bugs in build system.
273 
274 
275 === kim-api-v1.9.3 ============== 10Feb2018 ====================================
276 
277 * Major additions to options supported by the kim-api-v1-collections-management
278  utility. Added options include:
279 
280  - list --with-version
281  - install CWD
282  - install environment
283  - reinstall
284  - remove-all
285 
286  Additionally, items can now be installed from a source directory on the local
287  file system. Also, multiple items can be listed on a single command line.
288 
289 * Added a kim-api-v1-activate/deactivate utilities (available when installed to
290  non-standard locations). These add/remove to PATH and setup the bash
291  completions.
292 
293 * Added bash completions for user utilities
294 
295 * Added support for the sysconfdir variable to the build system
296 
297 * Updated utilities to more closely follow docopt.org specifications.
298 
299 * Model/Driver 'make install-*' now respect the DESTDIR environment variable.
300 
301 * Added support for Model/Driver install to the environment collection.
302 
303 * Add tracking of Parameterized Model parameter file file-names within the
304  generated model shared library.
305 
306 * Rename vc_* examples to utility_* to avoid confusion with new openkim.org
307  Verification Checks.
308 
309 * Various minor typo and bug fixes.
310 
311 
312 === kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
313 
314 * Complete rewrite of the kim-api package. Released as "alpha" to solicit
315  feedback from the user community. Changes (possibly incompatible) will be
316  made based on user experience.
317 
318 * Major changes are summarized below.
319 
320 * NBCs have been eliminated.
321 
322 * KIM descriptor files have been eliminated.
323 
324 * A new memory management scheme has been adopted.
325 
326 * The api is now much more consistent within each language (C++, C, Fortran)
327  binding.
328 
329 * Improved logging facilities and error messages.
330 
331 * Added Doxygen generated documentation. (See the docs for more details on
332  this version of the kim-api and on the differences between v1 and v2.)
333 
334 
335 === kim-api-v1.9.2 ============== 08Oct2017 ====================================
336 
337 * Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
338  is for compatibility with the recent removal of tgz support on openkim.org.
339 
340 
341 === kim-api-v1.9.1 ============== 27Sep2017 ====================================
342 
343 * Adjustment to build config flags to make cross-language compiling a bit more
344  flexible
345 
346 * Fix subtle Fortran implementation bug associated with non-short-circuit
347  conditional fortran behavior
348 
349 * Remove 'make install-set-default-to-v1' target and update INSTALL instructions
350  No longer have kim-api-build-config, etc. Now they explicitly include the
351  major version number. For example, kim-api-v1-build-config
352 
353 * Make some shell code more portable
354 
355 * Fixed some other installation details
356 
357 * Fixed missing semi-colon in makefile
358 
359 
360 === kim-api-v1.9.0 ============== 09Sep2017 ====================================
361 
362 * Added collections-management user utility to manage build and install
363  of OpenKIM Models and Model Drivers
364 
365 * Added support for "Simulator Models"
366 
367 * Dramatically simplify build system by removing supported scenarios.
368  + Removed static-link build option
369  + Removed "in-place" build scenario
370  + Added support and use of the libexec directory to distinguish between
371  user executable utilities and program executable utilities
372 
373 * Incorporate fix to configure script contributed by Christoph Junghans
374 
375 * Fix minor bugs in KIM_API_DIRS
376 
377 
378 === kim-api-v1.8.2 ============== 17Apr2017 ====================================
379 
380 * Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
381 
382 
383 === kim-api-v1.8.1 ============== 28Mar2017 ====================================
384 
385 * Added additional deprecations in prep. for kim-api-v2.0.0
386 
387 * Fixed other minor bugs in create_package script and build-config.cpp
388 
389 * Fixed bug in Makefile.ParameterizedModel
390 
391 * Fixed formatting error in Makefiles created by build-config utility
392 
393 * Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
394 
395 
396 === kim-api-v1.8.0 ============== 17Jan2017 ====================================
397 
398 * Deprecated significatant features and methods in prep. for kim-api-v2.0.0
399 
400 * Updated `build-config' utility with more flexible options
401 
402 * Removed `KIM_LINK = dynamic-link' option of build system
403 
404 * Modified/Fixed/Improved the configuration and build system
405 
406 * Added `collections-info' utility for querying environment variables,
407  user configuration files, and lists of models and model drivers in the
408  collections.
409 
410 
411 === kim-api-v1.7.3 ============== 02Jun2016 ====================================
412 
413 * Added a `configure' script for setting up Makefile.KIM_Config
414 
415 * Added support for environment-variable-collection
416 
417 * Added support for user_config_file_dir_name setting
418 
419 * Documentation update/improvements
420 
421 * Minor improvements to error messages
422 
423 * Added `make add-OpenKIM' feature
424 
425 * Added `make help' feature
426 
427 * Added release dates to NEWS file
428 
429 * Bug fixs
430 
431 
432 === kim-api-v1.7.2 ============== 25Jun2015 ====================================
433 
434 * Updated copyright years in files
435 
436 * Rewrite of INSTALL file to provide a significantly improved description and
437  instructions for build and installation of the KIM API
438 
439 * Fix error checking bug in ex_test_Ar_multiple_models Test
440 
441 * Improve the build and install process to better follow standard conventions
442  for library soname values.
443 
444 * Increased the maximum number of species supported by the example Tests to 200
445 
446 * Fixed bug in example Tests related to maximum number of supported species
447 
448 * Updated 'make clean' so that it removes all old library files in the source
449  directories
450 
451 * Fixed default make target for Parameterized Models
452 
453 * Fixed a bug in the installation process associated with the use of DESTDIR
454 
455 * Fixed a regular expression error in the build system
456 
457 * Fixed memory leak in internal KIM API code
458 
459 * Added sanity check to make sure that the 'xxd' utility is available
460 
461 * vc_forces_numer_deriv now outputs configuration energy
462 
463 * Documentation updates
464 
465 
466 === kim-api-v1.7.1 ============== 02Dec2014 ====================================
467 
468 * Bug fix for build of parameterized Models
469 
470 * Minor documentation update
471 
472 
473 === kim-api-v1.7.0 ============== 21Nov2014 ====================================
474 
475 * Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
476 
477 * Added LINKSOPATH variable to build system for advanced system install options
478 
479 * Added KIM_API_get_kim_str_len() routine
480 
481 * Fix inconsistencies in ex_test_Ar_multiple_models
482 
483 * remove build system dependency on 'ed' program
484 
485 * Update 'make add-*' mechanism to use permanent url's for openkim.org items
486 
487 * Fix bugs and minor improvements to build system
488 
489 * Minor improvements to error messages
490 
491 * Updates to documentation
492 
493 
494 === kim-api-v1.6.3 ============== 18Aug2014 ====================================
495 
496 * Fixed install to recognize := and = in Makefiles
497 
498 * Removed use of non-standard strtok_r()
499 
500 * Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
501 
502 * Fixes build system
503 
504 
505 === kim-api-v1.6.2 ============== 11Aug2014 ====================================
506 
507 * Correct KIM_API_Versions in template ".kim" files
508 
509 * Update make clean target for Model Drivers and Models
510 
511 * All template ".kim" files now generated from "legos" in git repo
512 
513 
514 === kim-api-v1.6.1 ============== 08Aug2014 ====================================
515 
516 * Updates to Model Driver and Model template files (in docs/templates/)
517 
518 * Changed the internal mechanism for handling parameter files to remove a
519  security hole associated with the use of tmpnam().
520 
521 * Revise kim.log entries to be more informative and clear
522 
523 * Bug fixes in build system, examples, and build system
524 
525 * Other small documentation and code improvements
526 
527 
528 === kim-api-v1.6.0 ============== 28Jul2014 ====================================
529 
530 * Documentation updates.
531 
532 * Model Driver Template and training model examples are now generated from a
533  single consistent "lego" file. Training examples are not included in
534  official release tarballs.
535 
536 * Add SemVer version routines to the KIM API. ".kim" files now require a
537  KIM_API_Version line to indicate the Model/Simulator compatibility.
538 
539 * Change terminology from "Particle Types" to "Particle Species" for clarity
540  and uniformity with the rest of the OpenKIM project. (See
541  KIM_API_get_model_species(), and similar routines.)
542 
543 * Changed KIM API routines that output strings. This avoids output of arrays
544  of strings, which are unnatural in C/C++ and allows for more natural handling
545  of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
546  KIM_API_get_params(), and similar routines.)
547 
548 * Simulators and OpenKIM Tests now should use the "kim-api-build-config"
549  utility in order to obtain appropriate compiler and linker flags for building
550  against the KIM API.
551 
552 * Changed CCFLAGS to more standard CFLAGS Make variable.
553 
554 * Build system now provides ability to download Model Drivers and Models
555  directly from openkim.org.
556 
557 * Change package name from "openkim-api" to "kim-api".
558 
559 * Rename this file (CHANGELOG) to NEWS, to better follow convention.
560 
561 * A complete restructuring of the package directory layout has been performed
562  in order to conform to more standard practices and to better reflect the
563  intended behavior and use of the package components.
564 
565 * Model Drivers now specify the name of their ".kim" file template in their
566  Makefile. The conventional name for these files now ends in ".kim.tpl".
567 
568 * Model ".kim" file name is now specified in the Makefile and can be anything
569  the developer desires.
570 
571 * Remove deprecated KIM_API_init() routine.
572 
573 * Remove deprecated Fortran Cray pointer support.
574 
575 
576 === openkim-api-v1.5.0 ========== 16Jul2014 ====================================
577 
578 * Documentation updates, including an extensive discussion of the installation
579  process in INSTALL.
580 
581 * Update examples to use KIM_API_file_init() and name their ".kim" file
582  "descriptor.kim" in accordance with the new convention of the openkim.org
583  processing pipeline.
584 
585 * Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
586  primary openkim.org Tests should initialize the KIM API and specify their KIM
587  descriptor files.
588 
589 * Portability fixes for the make system
590 
591 * Move away from naming various files based on the item (Model Driver, Model,
592  Test) name. Instead establish standard names for each item type.
593 
594 * Added Makefile.Version to provided the make system with version information
595  and set policy (based on SemVer 2.0.0) for how, when, and why to update the
596  version.
597 
598 * Significant updates to the make system. Primarily associated with
599  installation of the KIM API to a system-wide location, and its use once
600  installed there.
601 
602 
603 === openkim-api-v1.4.1 ========== 19May2014 ====================================
604 
605 
606 * Added additional compiler flags to support differences between GCC and INTEL
607 
608 * Fixed examples that used set_data when they should have used set_method.
609 
610 * Added LDLIBS flag in split functionality of LDFLAGS variable more
611  appropriately. This is more inline with standard Makefile practice.
612 
613 * Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
614 
615 * Added KIM_MAKE_VERBOSITY setting to Make system
616 
617 * Updates to README, INSTALL, and Templates
618 
619 * Make system improvements and fixes
620 
621 * Added checks for known buggy compilers
622 
623 * Updated and corrected documentation
624 
625 
626 === openkim-api-v1.4.0 ========== 26Feb2014 ====================================
627 
628 
629 * Improvements to robustness and efficiency of MAKE_SYSTEM
630 
631 * Updated copyright years in files
632 
633 * Updated documentation to reflect new Fortran 2003 bindings
634 
635 * Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
636 
637 * Made significant improvement to neighbor list handling in example Tests
638 
639 * Made some minor improvements to example Models and Model Drivers
640 
641 * Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
642 
643 * DEPRECATED all Cray pointer bindings and associated code
644 
645 * Added Fortran 2003 bindings
646 
647 
648 === openkim-api-v1.3.1 ========== 20Jan2014 ====================================
649 
650 
651 * Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
652  compilers and CYGWIN systems
653 
654 * Added notes to INSTALL for gun 4.4 and CYGWIN systems
655 
656 * Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
657 
658 
659 === openkim-api-v1.3.0 ========== 10Dec2013 ====================================
660 
661 
662 * change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
663 
664 * Split .kim files and parameter files into chunks to stay under C++ supported
665  string literal length.
666 
667 * Fix for dynamic-link compile option
668 
669 * Some minor code fixes/updates and documentation updates
670 
671 * Updates to `make install'
672 
673 * Fix bug in FCC example Tests
674 
675 * Fix/Update Templates
676 
677 * Fix a bug in Makefile.Test
678 
679 * Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
680 
681 
682 === openkim-api-v1.2.3 ========== 15Nov2013 ====================================
683 
684 
685 * Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
686 
687 * Fixed a memory leak in the api (patch provided by Tobias Brink)
688 
689 * Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
690  that this header file does not need to be installed by the `make install'
691  command.
692 
693 * Changes to Makefiles to improve portability (of `make uninstall')
694 
695 * Some minor changes to api code to remove compiler warnings from some compilers
696 
697 
698 === openkim-api-v1.2.2 ========== 17Sep2013 ====================================
699 
700 
701 * Improved speed of make system when many Models/Tests (and Drivers) exist
702 
703 * Improved an aspect of the api's error checking/reporting
704 
705 
706 === openkim-api-v1.2.1 ========== 21Jul2013 ====================================
707 
708 
709 * Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
710 
711 
712 === openkim-api-v1.2.0 ========== 12Jul2013 ====================================
713 
714 
715 * Documentation updates.
716 
717 * Various bug fixes.
718 
719 * Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
720  when the package is installed via the `make install' command.
721 
722 * Added install and uninstall targets to the Make system.
723 
724 * Now the build system (in dynamic-load and dynamic-link modes) hides all
725  symbols in the Model Driver and Model libraries except for the model_init()
726  function and the Model's kim descriptor string. This means that there is no
727  need to worry about symbol clashes between Models, Model Drivers, or Tests.
728 
729 * Implemented dynamic-load, dynamic-link, and static-link build options.
730 
731 * Make system now provides only summary information on the build process. This
732  makes the progress easier to understand. To see the actual build commands
733  use `make -n'.
734 
735 * Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
736 
737 * Now use -g, -Wall, and -pedantic by default for all compilations.
738 
739 * Changed model_init() function conventions to simplify the scheme. This also
740  resulted in the removal of the Model or Test name from the descriptor files.
741 
742 * Added the openkim-api-descriptor-file-match utility.
743 
744 * Completely rewrote and streamlined the openkim-api Make system
745 
746 * Changed directory names from trailing `s' to trailing `S'.
747 
748 * Updated example Tests and Models to use the new get/set method routines.
749 
750 * Added `const' to api string parameters to avoid warnings in Models and Tests
751 
752 * Added get/set method routines to properly transfer pointers to functions
753  or methods via the api.
754 
755 * Added support to examples for NEIGH_RVEC_H.
756 
757 * Added the NEIGH_RVEC_H NBC method.
758 
759 * Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
760 
761 * Added ex_model_Cu_PF_Johnson C pair-functional model and template.
762 
763 * Updates and bug fixes in example Models.
764 
765 * Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
766  vc_forces_delta to the distribution.
767 
768 
769 === openkim-api-v1.1.1 ========== 19Aug2012 ====================================
770 
771 
772 * Added run_forces_numer_deriv_for_all_models script that will run and
773  summarize the results of vc_forces_numer_deriv for all available Models.
774 
775 * Added vc_forces_numer_deriv "verification check" that can be used with any
776  Model to check the consistency of its computed forces with a numerical
777  derivative based on the Model's energy.
778 
779 * Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
780 
781 * Fixed a bug in the make system that occurred when using static linking that
782  would cause some Models to be incorrectly identified as "unknown"
783 
784 * ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
785  NBC (which means they work with ALL NBC methods)
786 
787 * Documentation updates
788 
789 * Updated 32/64 bit switching in Fortran code for easier maintenance
790 
791 * Moved library compile flags to end of command line to make sure all libraries
792  are correctly associated with the appropriate .so files
793 
794 * Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
795  management and PARAM_* handling
796 
797 
798 === openkim-api-v1.1.0 ========== 12Jul2012 ====================================
799 
800 
801 * Documentation updates
802 
803 * Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
804  This allows for easily setting the value of THIS_FILE_NAME to something
805  appropriate (short) when the default preprocessor value of __FILE__ is longer
806  that 132 characters (the max line length for Fortran)
807 
808 * Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
809  `metal' unit system
810 
811 * Changed KIM_COMPUTE and KIM_NOT_COMPUTE to KIM_COMPUTE_TRUE and
812  KIM_COMPUTE_FALSE, respectively
813 
814 * Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
815  number of neighbors for an atom
816 
817 * Updated api and examples to always `return' with an error code instead of
818  `exit' or `stop'. This allows the Test to handle errors and is a better
819  convention for error handling
820 
821 * Added KIM_STATUS_MODEL_UNSUPPORTED_CONFIGURATION for cases where a
822  configuration is identified at run time as unsupported
823 
824 * Removed requirement for a trailing `/' in environment variables (such as
825  $KIM_DIR)
826 
827 * Added make warning if `make' is invoked from a Model directory when static
828  linking is being used.
829 
830 * Added `make examples-force' target
831 
832 * `make examples' only copies files; it no longer also compiles everything
833 
834 * Changed all call-back interfaces (model_init, model_reinit, model_compute,
835  model_destroy) to be consistent: integer functions (in Fortran speak). Also
836  updated examples and templates to conform to this new interface.
837 
838 * Added get_model_partcl_typs() and get_test_partcl_type() service routines
839  Removed get_partcl_types() routine.
840 
841 * Added ability of a Model/Model Driver to set its particle type codes at
842  runtime
843 
844 * Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
845  directories
846 
847 * Added `Temperature' to standard.kim for "temperature dependent" Models
848 
849 * New Model Driver interface supports reading from any number of files (not
850  strings)
851 
852 * Support for 001-999 particle types in Model Drivers
853 
854 * Use $(strip ) function to avoid difficult trailing space problem in make files
855 
856 * Rearranged and simplify compiler settings files
857  (KIM_API/*_compiler_settings.mk)
858 
859 * Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
860 
861 * Many improvements to Make-system portability
862 
863 * Carriage returns are now striped from kim and parameter files during Make
864 
865 * Improvements to the vc_forces_numer_deriv verification check
866 
867 * Bug fixes for KIM_API_init() matching
868 
869 * Significant clean-up/rearrangement of core api code
870 
871 
872 === openkim-api-v1.0.1 ========== 25Feb2012 ====================================
873 
874 
875 * Bug fix to ex_model_Ne_P_fastLJ
876 
877 * Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
878 
879 * Documentation updates
880 
881 
882 === openkim-api-v1.0.0 ========== 22Feb2012 ====================================
883 
884 
885 * Moved all examples to EXAMPLES directory and added `make examples' target.
886 
887 * Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
888 
889 * Renamed nearly all API functions to improve readability and comprehension.
890 
891 * Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
892  KIM_API_get_neigh.
893 
894 * Total re-work of unit handling for the API.
895 
896 * Added KIM_API_model_info() function for Tests to use for discovering what a
897  Model supports.
898 
899 * Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
900  in one function call.
901 
902 * Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
903  file "on-the-fly".
904 
905 * Added process_dEdr and process_dE2dr2 approach for calculating general
906  properties. Currently automatic support for `virial', `particleVirial', and
907  `hessian' is available.
908 
909 * Added "unsymmetric half neighbor lists" (numberContributingParticles).
910 
911 * Added model/test buffers for use by Model and Test, respectively.
912 
913 * Improvements in dynamic linking setup.
914 
915 * Examples additions, improvements, and bug fixes.
916 
917 * Bug fixes.
918 
919 
920 === openkim-api-v0.2.0 ========== 15Sep2011 ====================================
921 
922 
923 * Updated documentation
924 
925 * Added KIM_API_report_error() service function and updated all examples
926  and templates to use this function.
927 
928 * Added KIMstatus.h which contains definitions of KIM status codes.
929 
930 * Added KIM_API_status_msg() service routine to return a string describing a
931  given status code.
932 
933 * Updated messages printed to kim.log file to be more informative.
934 
935 * Model KIM descriptor files are now incorporated into the Model's binary
936  library file. This means that the file is no longer required at run time and
937  that the Model must be recompiled after changes to the descriptor file.
938 
939 * Added Model Driver Templates
940 
941 * Added two Model Drivers and four Models based on the Model Drivers
942 
943 * Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
944 
945 * Added support for Model Drivers
946 
947 * Bug fixes
948 
949 
950 === openkim-api-v0.1.2 ========== 22Aug2011 ====================================
951 
952 
953 * Fixed a number of bugs in the examples related to running on 64bit machines
954 
955 * Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
956  machines
957 
958 
959 === openkim-api-v0.1.1 ========== 16Aug2011 ====================================
960 
961 
962 * Fixed memory handling bug associated with the service functions
963  KIM_API_get_listAtomTypes()
964  KIM_API_get_listParams()
965  KIM_API_get_listFreeParams()
966  KIM_API_get_listFixedParams()
967  KIM_API_get_NBC_method()
968 
969 * Fixed bug in test_**_free_cluster.F90
970 
971 * Renamed `README.git' to `README_GIT' to avoid confusion with the
972  git convention that the extension `.git' refers to a bare repository
973 
974 
975 === openkim-api-v0.1.0 ========== 08Aug2011 ====================================
976 
977 
978 * Added TEMPLATE files to help users create their own KIM Models.
979 
980 * Added a number of example Models and Tests to help users understand how to
981  implement their own openkim-api compliant codes.
982 
983 * Added support for ATOM/PARTICLE types
984 
985 * Added support for Models to publish their parameters
986 
987 * Added support for Models to define a `reinit' function for use when their
988  parameters are changed by a Test.
989 
990 * Improved the Makefile system in general (although, more needs to be done)
991 
992 * Added support for neighbor list and boundary conditions (NBC)
993 
994 * Added support for dynamic linking
995 
996 * Updated documentation
997 
998 * Added documentation to the standard.kim file which now describes in detail
999  the format and content of KIM descriptor files.
1000 
1001 * Added README files to every directory. These files provide a short
1002  (hopefully helpful) description of the contents of the directory)
1003 
1004 
1005 === openkim-api-v0.0.0 =========================================================
1006 
1007 
1008 The initial release of the openkim-api package. This was first made available
1009 to participants at the Inaugural Openkim Workshop held in San Diego, CA on
1010 Feb. 26-27, 2011.