kim-api  2.1.4-git+v2.1.3-git-1-g7847914a.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-2.1.3 =============== 16Aug2019 ====================================
36 
37 * Adjust kim_collections_module to work around gfortran <= 4.8 bug.
38 
39 * Fix minor bug in collections-management.
40 
41 * Improve backward compatibility support for ~/.kim-api/config file format.
42 
43 * Fix to Fortran/C mapping of KIM_LENGTH_UNIT_BOHR.
44 
45 * Fixes to Fortran documentation and cross-references.
46 
47 * Added information/links to the top level README.md
48 
49 
50 === kim-api-2.1.2 =============== 29Jul2019 ====================================
51 
52 * Fixup Fortran kim_collections_module interfaces to be consistent with c/c++.
53 
54 * Fixup collections-management for portabability to dash.
55 
56 * Improve item-wrapper.cpp.in for more standard compliant MD, MO, SM behavior.
57 
58 * Improve zsh completion install behavior.
59 
60 * Fixup Fortran c_long communication and overflow behavior.
61 
62 * Add missing testing of interface in examples/simulators/collections-example.
63 
64 * Improve example/simulators to remove warnings.
65 
66 * Fix bug in KIM::SimulatorModel::Create().
67 
68 
69 === kim-api-2.1.1 =============== 24Jul2019 ====================================
70 
71 * Refactor 'kim-api-collections-management list' code for performance.
72 
73 * Update collections-management to use 'make -j2' for improved performance.
74 
75 * Improve kim-api-collections-management handling of passwords for use with
76  sudo. Specifically, support reading of passwords with whitespace and other
77  special characters.
78 
79 * Add zsh support to activate/deactivate scripts & zsh completions.
80 
81 * Fix c_long overflow (for i386 systems) bug in Fortran kim_collections_module.
82 
83 * Rework 'kim-api-collections-management install xxx OpenKIM' behavior. Now
84  installs the latest official release archive found at
85  https://s3.openkim.org/archives/collection/. This also greatly reduces the
86  total build and install time.
87 
88 * Redefine/refactor KIM::Collections behavior for finding item names.
89  Previously, a shared library file was found, opened, and checked for
90  validity. To significantly improve performance, now simply the existence of
91  the shared library file is used to identify available item names.
92 
93 * Redefine/refactor collections-management and collections-info to remove
94  '--with-version' option.
95 
96 * Fixup and improve Fortran example codes.
97 
98 * Added reopology.org graphic of available binaries to README.md.
99 
100 
101 === kim-api-2.1.0 =============== 16Jul2019 ====================================
102 
103 * Added new KIM::SimulatorModel interface providing programatic support to
104  simulators for packaging of parameter files, input commands, and metadata
105  necessary to run a simulator's native potentials.
106 
107 * Added new KIM::Collections interface (and the supporting extensible
108  enumerations KIM::Collection and KIM::CollectionItemTypes) providing
109  programatic access to the KIM API Collections and its configuration settings.
110  (This included a refactor and removal of old_KIM_API_DIRS.*.)
111 
112 * Convert from old 'models' to 'portable-models' nomenclature for KIM API
113  collections, including environment variables, configuration file, etc. (For
114  backward compatibility, the old configuration file format is still accepted.)
115 
116 * Added support for Metadata files to (internal) KIM::SharedLibrary and
117  programatic access to these files from the new KIM::Collections interface.
118 
119 * Automatically add standard openkim.org metadata files (kimspec.edn,
120  kimprovenance.edn, and kimcite-*.bib) to an item's shared library if they
121  exist.
122 
123 * Significant documentation updates to describe the new interfaces as well as
124  changing to the the Portable Model (PM) and Simulator Model (SM) terminology.
125 
126 * Added explicit documentation of Fortran interfaces for routines called by the
127  KIM API (ModelCreate, ModelDestroy, GetNeighborList, etc.).
128 
129 * Added mention of "Toy Models" to documentation.
130 
131 * Added data-type error checking for Portable Model parameter get/set routines;
132  Thanks to Daniel Schopf.
133 
134 * Bug fixes and improvements to kim-api-collections-management script
135 
136 * Added support for Include-What-You-Use (IWYU).
137 
138 * Added (internal) copy of edn-cpp parser for use with SMs.
139 
140 * Updated existing examples as necessary and added SM example.
141 
142 * Added new "unit-test" examples of simulators using the Collections and SM
143  interfaces.
144 
145 * Improvement to pkgconfig support; Thanks to Christoph Junghans.
146 
147 * Added new tests to CI, based on INSTALL file.
148 
149 * Updates create-package script and added run-cmds-from-install script.
150 
151 * Added .clang-format-hook-ignore file and mechanism (specifically for edn-cpp).
152 
153 * Updates to better support binary installation on various systems.
154 
155 * Added CDDL headers to files that did not have them.
156 
157 
158 === kim-api-2.0.2 =============== 28Mar2019 ====================================
159 
160 * Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
161  open source conventions
162 
163 * Added a simulator model example
164 
165 * Refactored support for simulator models: separated from models in collections.
166  Updated collections-management utility appropriately
167 
168 * Updated calls to scanf() for better security
169 
170 * Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
171 
172 * Added build options to set system collection directories
173 
174 * Added support for colon-separated list of directories for user and system
175  collections
176 
177 * Added '--version' flag to utilities
178 
179 * Update bash completion to work with old and new bash
180 
181 * Improve robustness of creat-package script
182 
183 * Updated badges to point to 'devel' branch & create-package to change to
184  'master' branch for release commit
185 
186 * Added coverity & codecov badges to README.md
187 
188 * Added vX.Y.Z-git tags to git repo and updated create-package script
189 
190 * Added NEWS file to Doxygen documentation & updated doxygen settings
191 
192 * Improved version build metadata string using "git describe"
193 
194 * Updated link flags for codecov
195 
196 
197 === kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
198 
199 * Fix bug in KIM::SemVer::ParseSemVer()
200 
201 * Various minor fixes to address issues identified by Coverity Scan
202 
203 * Fix version string in libkim-api-v2.pc to conform to RPM schema
204 
205 * Added advanced CMake options for compilers used to build items after install
206 
207 * Added item install prefix CMake variables to cache; helps with packaging
208 
209 * Remove dead code in top level CMakeLists.txt
210 
211 
212 === kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
213 
214 * Update main documentation.
215 
216 * Added function level documentation with cross-references and input/output
217  argument descriptions.
218 
219 * Added Known() member function to extensible enumerations.
220 
221 * Extensible enumeration default constructors now create uninitialized objects.
222 
223 * Rename C++ *.String() routines to *.ToString.
224 
225 * Added 'recursive' to all Fortran routines (for better thread safety).
226 
227 * Added support files for readthedocs.
228 
229 * Additions and fixes for collections-management utility.
230 
231 * Travis CI configuration updates.
232 
233 * Avoid some compiler warnings from clang.
234 
235 * Various CMake fixes/adjustments.
236 
237 * Various bug fixes in api code.
238 
239 
240 === kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
241 
242 * Updated and added examples to work with and demonstrate api changes/additions
243 
244 * Implemented new KIM::Model::IsRoutinePresent interface to facilitate
245  backward compatibility
246 
247 * Updated SpeciesName entries for recently renamed periodic table elements
248 
249 * Added WriteParameterizedModel Routine and assoc. code
250 
251 * Added Extension Routine to allow for non-standard extensions
252 
253 * Added Push/Pop Default Verbosity to KIM::Log
254 
255 * Changed Release default LogVerbosity to INFORMATION
256 
257 * Added ctest test for items to check that shared libraries can be opened
258 
259 * Improvements to Collections-Management behavior
260 
261 * Removed unnecessary header files
262 
263 * Updated travis.ci configuration
264 
265 * Refactored some backend implementation to improve maintainability, including
266  significant new KIM_SharedLibrarySchema interface
267 
268 * Improvements to CMake build system
269 
270 * Updated create-package script
271 
272 * Updated documentation
273 
274 
275 === kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
276 
277 * CMake build and test replaces custom Makefiles; added travis, gitlab CI
278  A big thank you to Richard Berger and Christoph Junghans for their major
279  contribution in getting the KIM API package converted to CMake.
280 
281 * Using standard pkg-config setup instead of custom kim-api-v2-build-config
282 
283 * Major restructuring of the Fortran bindings.
284 
285 * Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
286 
287 * Add Model routine and callback prototypes in KIM_Functions header
288 
289 * Add a required unique name field for parameters.
290 
291 * Refactoring of neighbor list hints. The half-list hint had a fatal flaw
292  which required its removal.
293 
294 * Significant refactoring of the logging macros in C and C++. Complete removal
295  of all preprocessing for Fortran.
296 
297 * Redesign of release and packaging script and process.
298 
299 * Added a couple of new models that illustrate various features of the api.
300 
301 * Removed v1 to v2 porting guide.
302 
303 * "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
304  contains tables with a complete listing of all kim-api identifiers in all
305  languages and their mappings between one-another.
306 
307 * Complete update of documentation. Rework and correct definition of
308  partialVirial and partialParticleVirial.
309 
310 * Added emacs cc-mode settings
311 
312 * Added clang-format settings, scripts, and git-hooks for C/C++
313 
314 * Complete review of C++, C, and Fortran bindings for consistency
315 
316 * Many other small and not-so-small changes.
317 
318 
319 === kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
320 
321 * Fix memory leak and uninitialized variables id'ed by coverity scan.
322 
323 * Update docs and porting guide for neighbor list hints changes.
324 
325 * Implement neighbor list hints (paddingNeighbor & halfList); update examples.
326 
327 * Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
328 
329 * Add C++ LennardJones_Ar stand-alone model example.
330 
331 * Fix compatibility checking code in example simulators.
332 
333 * Update LennardJones612 example to use 1/2 list short-circuit mechanism.
334 
335 * Fix collections-info to set log verbosity to debug.
336 
337 * Use NULL consistently to initialize pointers in implemenation code.
338 
339 
340 === kim-api-v1.9.7 ============== 07Jul2018 ====================================
341 
342 * Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
343 
344 * Fix support for required-compute of forces in utility-forces-numer-deriv.
345 
346 * Fix identifiers in bash-completions.
347 
348 * Added --log option to CM 'list' command.
349 
350 * Use fixed seed for random number generator in utility-forces-numer-deriv.
351 
352 
353 === kim-api-v2.0.0-beta.0 ======= 26Jun2018 ====================================
354 
355 * Added a 'Guide for porting content from KIM API v1 to v2' to documentation
356 
357 * Documentation updates and improvements
358 
359 * Implemented extensive error checking and logging within the API
360 
361 * Separated Model object into ComputeArguments and Model
362 
363 * Many refinements and corrections to the new API
364 
365 
366 === kim-api-v1.9.6 ============== 26Jun2018 ====================================
367 
368 * Updated INSTALL file
369 
370 * Added 'install OpenKIM_with_history' and 'install --force' options to the
371  collections-management utility
372 
373 * Collections-management utility now cleanly handles an unaccessible openkim.org
374 
375 * Fixed bugs and made improvements to build system
376 
377 
378 === kim-api-v1.9.5 ============== 12May2018 ====================================
379 
380 * Update build system to support parallel builds (make -j).
381 
382 * Fixed bug in collections-management for "install OpenKIM" option.
383 
384 * Update INSTALL file
385 
386 
387 === kim-api-v1.9.4 ============== 09Apr2018 ====================================
388 
389 * Added '--interactive' option to collections-management utility.
390 
391 * Added Travis-CI support through GitHub.
392 
393 * Fixed bugs in collections-management utility.
394 
395 * Fixed bugs in build system.
396 
397 
398 === kim-api-v1.9.3 ============== 10Feb2018 ====================================
399 
400 * Major additions to options supported by the kim-api-v1-collections-management
401  utility. Added options include:
402 
403  - list --with-version
404  - install CWD
405  - install environment
406  - reinstall
407  - remove-all
408 
409  Additionally, items can now be installed from a source directory on the local
410  file system. Also, multiple items can be listed on a single command line.
411 
412 * Added a kim-api-v1-activate/deactivate utilities (available when installed to
413  non-standard locations). These add/remove to PATH and setup the bash
414  completions.
415 
416 * Added bash completions for user utilities
417 
418 * Added support for the sysconfdir variable to the build system
419 
420 * Updated utilities to more closely follow docopt.org specifications.
421 
422 * Model/Driver 'make install-*' now respect the DESTDIR environment variable.
423 
424 * Added support for Model/Driver install to the environment collection.
425 
426 * Add tracking of Parameterized Model parameter file file-names within the
427  generated model shared library.
428 
429 * Rename vc_* examples to utility_* to avoid confusion with new openkim.org
430  Verification Checks.
431 
432 * Various minor typo and bug fixes.
433 
434 
435 === kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
436 
437 * Complete rewrite of the kim-api package. Released as "alpha" to solicit
438  feedback from the user community. Changes (possibly incompatible) will be
439  made based on user experience.
440 
441 * Major changes are summarized below.
442 
443 * NBCs have been eliminated.
444 
445 * KIM descriptor files have been eliminated.
446 
447 * A new memory management scheme has been adopted.
448 
449 * The api is now much more consistent within each language (C++, C, Fortran)
450  binding.
451 
452 * Improved logging facilities and error messages.
453 
454 * Added Doxygen generated documentation. (See the docs for more details on
455  this version of the kim-api and on the differences between v1 and v2.)
456 
457 
458 === kim-api-v1.9.2 ============== 08Oct2017 ====================================
459 
460 * Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
461  is for compatibility with the recent removal of tgz support on openkim.org.
462 
463 
464 === kim-api-v1.9.1 ============== 27Sep2017 ====================================
465 
466 * Adjustment to build config flags to make cross-language compiling a bit more
467  flexible
468 
469 * Fix subtle Fortran implementation bug associated with non-short-circuit
470  conditional fortran behavior
471 
472 * Remove 'make install-set-default-to-v1' target and update INSTALL instructions
473  No longer have kim-api-build-config, etc. Now they explicitly include the
474  major version number. For example, kim-api-v1-build-config
475 
476 * Make some shell code more portable
477 
478 * Fixed some other installation details
479 
480 * Fixed missing semi-colon in makefile
481 
482 
483 === kim-api-v1.9.0 ============== 09Sep2017 ====================================
484 
485 * Added collections-management user utility to manage build and install
486  of OpenKIM Models and Model Drivers
487 
488 * Added support for "Simulator Models"
489 
490 * Dramatically simplify build system by removing supported scenarios.
491  + Removed static-link build option
492  + Removed "in-place" build scenario
493  + Added support and use of the libexec directory to distinguish between
494  user executable utilities and program executable utilities
495 
496 * Incorporate fix to configure script contributed by Christoph Junghans
497 
498 * Fix minor bugs in KIM_API_DIRS
499 
500 
501 === kim-api-v1.8.2 ============== 17Apr2017 ====================================
502 
503 * Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
504 
505 
506 === kim-api-v1.8.1 ============== 28Mar2017 ====================================
507 
508 * Added additional deprecations in prep. for kim-api-v2.0.0
509 
510 * Fixed other minor bugs in create_package script and build-config.cpp
511 
512 * Fixed bug in Makefile.ParameterizedModel
513 
514 * Fixed formatting error in Makefiles created by build-config utility
515 
516 * Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
517 
518 
519 === kim-api-v1.8.0 ============== 17Jan2017 ====================================
520 
521 * Deprecated significatant features and methods in prep. for kim-api-v2.0.0
522 
523 * Updated `build-config' utility with more flexible options
524 
525 * Removed `KIM_LINK = dynamic-link' option of build system
526 
527 * Modified/Fixed/Improved the configuration and build system
528 
529 * Added `collections-info' utility for querying environment variables,
530  user configuration files, and lists of models and model drivers in the
531  collections.
532 
533 
534 === kim-api-v1.7.3 ============== 02Jun2016 ====================================
535 
536 * Added a `configure' script for setting up Makefile.KIM_Config
537 
538 * Added support for environment-variable-collection
539 
540 * Added support for user_config_file_dir_name setting
541 
542 * Documentation update/improvements
543 
544 * Minor improvements to error messages
545 
546 * Added `make add-OpenKIM' feature
547 
548 * Added `make help' feature
549 
550 * Added release dates to NEWS file
551 
552 * Bug fixs
553 
554 
555 === kim-api-v1.7.2 ============== 25Jun2015 ====================================
556 
557 * Updated copyright years in files
558 
559 * Rewrite of INSTALL file to provide a significantly improved description and
560  instructions for build and installation of the KIM API
561 
562 * Fix error checking bug in ex_test_Ar_multiple_models Test
563 
564 * Improve the build and install process to better follow standard conventions
565  for library soname values.
566 
567 * Increased the maximum number of species supported by the example Tests to 200
568 
569 * Fixed bug in example Tests related to maximum number of supported species
570 
571 * Updated 'make clean' so that it removes all old library files in the source
572  directories
573 
574 * Fixed default make target for Parameterized Models
575 
576 * Fixed a bug in the installation process associated with the use of DESTDIR
577 
578 * Fixed a regular expression error in the build system
579 
580 * Fixed memory leak in internal KIM API code
581 
582 * Added sanity check to make sure that the 'xxd' utility is available
583 
584 * vc_forces_numer_deriv now outputs configuration energy
585 
586 * Documentation updates
587 
588 
589 === kim-api-v1.7.1 ============== 02Dec2014 ====================================
590 
591 * Bug fix for build of parameterized Models
592 
593 * Minor documentation update
594 
595 
596 === kim-api-v1.7.0 ============== 21Nov2014 ====================================
597 
598 * Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
599 
600 * Added LINKSOPATH variable to build system for advanced system install options
601 
602 * Added KIM_API_get_kim_str_len() routine
603 
604 * Fix inconsistencies in ex_test_Ar_multiple_models
605 
606 * remove build system dependency on 'ed' program
607 
608 * Update 'make add-*' mechanism to use permanent url's for openkim.org items
609 
610 * Fix bugs and minor improvements to build system
611 
612 * Minor improvements to error messages
613 
614 * Updates to documentation
615 
616 
617 === kim-api-v1.6.3 ============== 18Aug2014 ====================================
618 
619 * Fixed install to recognize := and = in Makefiles
620 
621 * Removed use of non-standard strtok_r()
622 
623 * Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
624 
625 * Fixes build system
626 
627 
628 === kim-api-v1.6.2 ============== 11Aug2014 ====================================
629 
630 * Correct KIM_API_Versions in template ".kim" files
631 
632 * Update make clean target for Model Drivers and Models
633 
634 * All template ".kim" files now generated from "legos" in git repo
635 
636 
637 === kim-api-v1.6.1 ============== 08Aug2014 ====================================
638 
639 * Updates to Model Driver and Model template files (in docs/templates/)
640 
641 * Changed the internal mechanism for handling parameter files to remove a
642  security hole associated with the use of tmpnam().
643 
644 * Revise kim.log entries to be more informative and clear
645 
646 * Bug fixes in build system, examples, and build system
647 
648 * Other small documentation and code improvements
649 
650 
651 === kim-api-v1.6.0 ============== 28Jul2014 ====================================
652 
653 * Documentation updates.
654 
655 * Model Driver Template and training model examples are now generated from a
656  single consistent "lego" file. Training examples are not included in
657  official release tarballs.
658 
659 * Add SemVer version routines to the KIM API. ".kim" files now require a
660  KIM_API_Version line to indicate the Model/Simulator compatibility.
661 
662 * Change terminology from "Particle Types" to "Particle Species" for clarity
663  and uniformity with the rest of the OpenKIM project. (See
664  KIM_API_get_model_species(), and similar routines.)
665 
666 * Changed KIM API routines that output strings. This avoids output of arrays
667  of strings, which are unnatural in C/C++ and allows for more natural handling
668  of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
669  KIM_API_get_params(), and similar routines.)
670 
671 * Simulators and OpenKIM Tests now should use the "kim-api-build-config"
672  utility in order to obtain appropriate compiler and linker flags for building
673  against the KIM API.
674 
675 * Changed CCFLAGS to more standard CFLAGS Make variable.
676 
677 * Build system now provides ability to download Model Drivers and Models
678  directly from openkim.org.
679 
680 * Change package name from "openkim-api" to "kim-api".
681 
682 * Rename this file (CHANGELOG) to NEWS, to better follow convention.
683 
684 * A complete restructuring of the package directory layout has been performed
685  in order to conform to more standard practices and to better reflect the
686  intended behavior and use of the package components.
687 
688 * Model Drivers now specify the name of their ".kim" file template in their
689  Makefile. The conventional name for these files now ends in ".kim.tpl".
690 
691 * Model ".kim" file name is now specified in the Makefile and can be anything
692  the developer desires.
693 
694 * Remove deprecated KIM_API_init() routine.
695 
696 * Remove deprecated Fortran Cray pointer support.
697 
698 
699 === openkim-api-v1.5.0 ========== 16Jul2014 ====================================
700 
701 * Documentation updates, including an extensive discussion of the installation
702  process in INSTALL.
703 
704 * Update examples to use KIM_API_file_init() and name their ".kim" file
705  "descriptor.kim" in accordance with the new convention of the openkim.org
706  processing pipeline.
707 
708 * Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
709  primary openkim.org Tests should initialize the KIM API and specify their KIM
710  descriptor files.
711 
712 * Portability fixes for the make system
713 
714 * Move away from naming various files based on the item (Model Driver, Model,
715  Test) name. Instead establish standard names for each item type.
716 
717 * Added Makefile.Version to provided the make system with version information
718  and set policy (based on SemVer 2.0.0) for how, when, and why to update the
719  version.
720 
721 * Significant updates to the make system. Primarily associated with
722  installation of the KIM API to a system-wide location, and its use once
723  installed there.
724 
725 
726 === openkim-api-v1.4.1 ========== 19May2014 ====================================
727 
728 
729 * Added additional compiler flags to support differences between GCC and INTEL
730 
731 * Fixed examples that used set_data when they should have used set_method.
732 
733 * Added LDLIBS flag in split functionality of LDFLAGS variable more
734  appropriately. This is more inline with standard Makefile practice.
735 
736 * Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
737 
738 * Added KIM_MAKE_VERBOSITY setting to Make system
739 
740 * Updates to README, INSTALL, and Templates
741 
742 * Make system improvements and fixes
743 
744 * Added checks for known buggy compilers
745 
746 * Updated and corrected documentation
747 
748 
749 === openkim-api-v1.4.0 ========== 26Feb2014 ====================================
750 
751 
752 * Improvements to robustness and efficiency of MAKE_SYSTEM
753 
754 * Updated copyright years in files
755 
756 * Updated documentation to reflect new Fortran 2003 bindings
757 
758 * Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
759 
760 * Made significant improvement to neighbor list handling in example Tests
761 
762 * Made some minor improvements to example Models and Model Drivers
763 
764 * Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
765 
766 * DEPRECATED all Cray pointer bindings and associated code
767 
768 * Added Fortran 2003 bindings
769 
770 
771 === openkim-api-v1.3.1 ========== 20Jan2014 ====================================
772 
773 
774 * Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
775  compilers and CYGWIN systems
776 
777 * Added notes to INSTALL for gun 4.4 and CYGWIN systems
778 
779 * Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
780 
781 
782 === openkim-api-v1.3.0 ========== 10Dec2013 ====================================
783 
784 
785 * change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
786 
787 * Split .kim files and parameter files into chunks to stay under C++ supported
788  string literal length.
789 
790 * Fix for dynamic-link compile option
791 
792 * Some minor code fixes/updates and documentation updates
793 
794 * Updates to `make install'
795 
796 * Fix bug in FCC example Tests
797 
798 * Fix/Update Templates
799 
800 * Fix a bug in Makefile.Test
801 
802 * Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
803 
804 
805 === openkim-api-v1.2.3 ========== 15Nov2013 ====================================
806 
807 
808 * Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
809 
810 * Fixed a memory leak in the api (patch provided by Tobias Brink)
811 
812 * Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
813  that this header file does not need to be installed by the `make install'
814  command.
815 
816 * Changes to Makefiles to improve portability (of `make uninstall')
817 
818 * Some minor changes to api code to remove compiler warnings from some compilers
819 
820 
821 === openkim-api-v1.2.2 ========== 17Sep2013 ====================================
822 
823 
824 * Improved speed of make system when many Models/Tests (and Drivers) exist
825 
826 * Improved an aspect of the api's error checking/reporting
827 
828 
829 === openkim-api-v1.2.1 ========== 21Jul2013 ====================================
830 
831 
832 * Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
833 
834 
835 === openkim-api-v1.2.0 ========== 12Jul2013 ====================================
836 
837 
838 * Documentation updates.
839 
840 * Various bug fixes.
841 
842 * Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
843  when the package is installed via the `make install' command.
844 
845 * Added install and uninstall targets to the Make system.
846 
847 * Now the build system (in dynamic-load and dynamic-link modes) hides all
848  symbols in the Model Driver and Model libraries except for the model_init()
849  function and the Model's kim descriptor string. This means that there is no
850  need to worry about symbol clashes between Models, Model Drivers, or Tests.
851 
852 * Implemented dynamic-load, dynamic-link, and static-link build options.
853 
854 * Make system now provides only summary information on the build process. This
855  makes the progress easier to understand. To see the actual build commands
856  use `make -n'.
857 
858 * Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
859 
860 * Now use -g, -Wall, and -pedantic by default for all compilations.
861 
862 * Changed model_init() function conventions to simplify the scheme. This also
863  resulted in the removal of the Model or Test name from the descriptor files.
864 
865 * Added the openkim-api-descriptor-file-match utility.
866 
867 * Completely rewrote and streamlined the openkim-api Make system
868 
869 * Changed directory names from trailing `s' to trailing `S'.
870 
871 * Updated example Tests and Models to use the new get/set method routines.
872 
873 * Added `const' to api string parameters to avoid warnings in Models and Tests
874 
875 * Added get/set method routines to properly transfer pointers to functions
876  or methods via the api.
877 
878 * Added support to examples for NEIGH_RVEC_H.
879 
880 * Added the NEIGH_RVEC_H NBC method.
881 
882 * Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
883 
884 * Added ex_model_Cu_PF_Johnson C pair-functional model and template.
885 
886 * Updates and bug fixes in example Models.
887 
888 * Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
889  vc_forces_delta to the distribution.
890 
891 
892 === openkim-api-v1.1.1 ========== 19Aug2012 ====================================
893 
894 
895 * Added run_forces_numer_deriv_for_all_models script that will run and
896  summarize the results of vc_forces_numer_deriv for all available Models.
897 
898 * Added vc_forces_numer_deriv "verification check" that can be used with any
899  Model to check the consistency of its computed forces with a numerical
900  derivative based on the Model's energy.
901 
902 * Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
903 
904 * Fixed a bug in the make system that occurred when using static linking that
905  would cause some Models to be incorrectly identified as "unknown"
906 
907 * ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
908  NBC (which means they work with ALL NBC methods)
909 
910 * Documentation updates
911 
912 * Updated 32/64 bit switching in Fortran code for easier maintenance
913 
914 * Moved library compile flags to end of command line to make sure all libraries
915  are correctly associated with the appropriate .so files
916 
917 * Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
918  management and PARAM_* handling
919 
920 
921 === openkim-api-v1.1.0 ========== 12Jul2012 ====================================
922 
923 
924 * Documentation updates
925 
926 * Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
927  This allows for easily setting the value of THIS_FILE_NAME to something
928  appropriate (short) when the default preprocessor value of __FILE__ is longer
929  that 132 characters (the max line length for Fortran)
930 
931 * Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
932  `metal' unit system
933 
934 * Changed KIM_COMPUTE and KIM_NOT_COMPUTE to KIM_COMPUTE_TRUE and
935  KIM_COMPUTE_FALSE, respectively
936 
937 * Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
938  number of neighbors for an atom
939 
940 * Updated api and examples to always `return' with an error code instead of
941  `exit' or `stop'. This allows the Test to handle errors and is a better
942  convention for error handling
943 
944 * Added KIM_STATUS_MODEL_UNSUPPORTED_CONFIGURATION for cases where a
945  configuration is identified at run time as unsupported
946 
947 * Removed requirement for a trailing `/' in environment variables (such as
948  $KIM_DIR)
949 
950 * Added make warning if `make' is invoked from a Model directory when static
951  linking is being used.
952 
953 * Added `make examples-force' target
954 
955 * `make examples' only copies files; it no longer also compiles everything
956 
957 * Changed all call-back interfaces (model_init, model_reinit, model_compute,
958  model_destroy) to be consistent: integer functions (in Fortran speak). Also
959  updated examples and templates to conform to this new interface.
960 
961 * Added get_model_partcl_typs() and get_test_partcl_type() service routines
962  Removed get_partcl_types() routine.
963 
964 * Added ability of a Model/Model Driver to set its particle type codes at
965  runtime
966 
967 * Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
968  directories
969 
970 * Added `Temperature' to standard.kim for "temperature dependent" Models
971 
972 * New Model Driver interface supports reading from any number of files (not
973  strings)
974 
975 * Support for 001-999 particle types in Model Drivers
976 
977 * Use $(strip ) function to avoid difficult trailing space problem in make files
978 
979 * Rearranged and simplify compiler settings files
980  (KIM_API/*_compiler_settings.mk)
981 
982 * Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
983 
984 * Many improvements to Make-system portability
985 
986 * Carriage returns are now striped from kim and parameter files during Make
987 
988 * Improvements to the vc_forces_numer_deriv verification check
989 
990 * Bug fixes for KIM_API_init() matching
991 
992 * Significant clean-up/rearrangement of core api code
993 
994 
995 === openkim-api-v1.0.1 ========== 25Feb2012 ====================================
996 
997 
998 * Bug fix to ex_model_Ne_P_fastLJ
999 
1000 * Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
1001 
1002 * Documentation updates
1003 
1004 
1005 === openkim-api-v1.0.0 ========== 22Feb2012 ====================================
1006 
1007 
1008 * Moved all examples to EXAMPLES directory and added `make examples' target.
1009 
1010 * Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
1011 
1012 * Renamed nearly all API functions to improve readability and comprehension.
1013 
1014 * Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
1015  KIM_API_get_neigh.
1016 
1017 * Total re-work of unit handling for the API.
1018 
1019 * Added KIM_API_model_info() function for Tests to use for discovering what a
1020  Model supports.
1021 
1022 * Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
1023  in one function call.
1024 
1025 * Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
1026  file "on-the-fly".
1027 
1028 * Added process_dEdr and process_dE2dr2 approach for calculating general
1029  properties. Currently automatic support for `virial', `particleVirial', and
1030  `hessian' is available.
1031 
1032 * Added "unsymmetric half neighbor lists" (numberContributingParticles).
1033 
1034 * Added model/test buffers for use by Model and Test, respectively.
1035 
1036 * Improvements in dynamic linking setup.
1037 
1038 * Examples additions, improvements, and bug fixes.
1039 
1040 * Bug fixes.
1041 
1042 
1043 === openkim-api-v0.2.0 ========== 15Sep2011 ====================================
1044 
1045 
1046 * Updated documentation
1047 
1048 * Added KIM_API_report_error() service function and updated all examples
1049  and templates to use this function.
1050 
1051 * Added KIMstatus.h which contains definitions of KIM status codes.
1052 
1053 * Added KIM_API_status_msg() service routine to return a string describing a
1054  given status code.
1055 
1056 * Updated messages printed to kim.log file to be more informative.
1057 
1058 * Model KIM descriptor files are now incorporated into the Model's binary
1059  library file. This means that the file is no longer required at run time and
1060  that the Model must be recompiled after changes to the descriptor file.
1061 
1062 * Added Model Driver Templates
1063 
1064 * Added two Model Drivers and four Models based on the Model Drivers
1065 
1066 * Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
1067 
1068 * Added support for Model Drivers
1069 
1070 * Bug fixes
1071 
1072 
1073 === openkim-api-v0.1.2 ========== 22Aug2011 ====================================
1074 
1075 
1076 * Fixed a number of bugs in the examples related to running on 64bit machines
1077 
1078 * Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
1079  machines
1080 
1081 
1082 === openkim-api-v0.1.1 ========== 16Aug2011 ====================================
1083 
1084 
1085 * Fixed memory handling bug associated with the service functions
1086  KIM_API_get_listAtomTypes()
1087  KIM_API_get_listParams()
1088  KIM_API_get_listFreeParams()
1089  KIM_API_get_listFixedParams()
1090  KIM_API_get_NBC_method()
1091 
1092 * Fixed bug in test_**_free_cluster.F90
1093 
1094 * Renamed `README.git' to `README_GIT' to avoid confusion with the
1095  git convention that the extension `.git' refers to a bare repository
1096 
1097 
1098 === openkim-api-v0.1.0 ========== 08Aug2011 ====================================
1099 
1100 
1101 * Added TEMPLATE files to help users create their own KIM Models.
1102 
1103 * Added a number of example Models and Tests to help users understand how to
1104  implement their own openkim-api compliant codes.
1105 
1106 * Added support for ATOM/PARTICLE types
1107 
1108 * Added support for Models to publish their parameters
1109 
1110 * Added support for Models to define a `reinit' function for use when their
1111  parameters are changed by a Test.
1112 
1113 * Improved the Makefile system in general (although, more needs to be done)
1114 
1115 * Added support for neighbor list and boundary conditions (NBC)
1116 
1117 * Added support for dynamic linking
1118 
1119 * Updated documentation
1120 
1121 * Added documentation to the standard.kim file which now describes in detail
1122  the format and content of KIM descriptor files.
1123 
1124 * Added README files to every directory. These files provide a short
1125  (hopefully helpful) description of the contents of the directory)
1126 
1127 
1128 === openkim-api-v0.0.0 =========================================================
1129 
1130 
1131 The initial release of the openkim-api package. This was first made available
1132 to participants at the Inaugural Openkim Workshop held in San Diego, CA on
1133 Feb. 26-27, 2011.