kim-api  2.1.1+v2.1.1.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
NEWS
Go to the documentation of this file.
1 #
2 # CDDL HEADER START
3 #
4 # The contents of this file are subject to the terms of the Common Development
5 # and Distribution License Version 1.0 (the "License").
6 #
7 # You can obtain a copy of the license at
8 # http://www.opensource.org/licenses/CDDL-1.0. See the License for the
9 # specific language governing permissions and limitations under the License.
10 #
11 # When distributing Covered Code, include this CDDL HEADER in each file and
12 # include the License file in a prominent location with the name LICENSE.CDDL.
13 # If applicable, add the following below this CDDL HEADER, with the fields
14 # enclosed by brackets "[]" replaced with your own identifying information:
15 #
16 # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved.
17 #
18 # CDDL HEADER END
19 #
20 
21 #
22 # Copyright (c) 2013--2019, Regents of the University of Minnesota.
23 # All rights reserved.
24 #
25 # Contributors:
26 # Ryan S. Elliott
27 # Ellad B. Tadmor
28 #
29 
30 #
31 # Release: This file is part of the kim-api-2.1.1 package.
32 #
33 
34 
35 === kim-api-2.1.1 =============== 24Jul2019 ====================================
36 
37 * Refactor 'kim-api-collections-management list' code for performance.
38 
39 * Update collections-management to use 'make -j2' for improved performance.
40 
41 * Improve kim-api-collections-management handling of passwords for use with
42  sudo. Specifically, support reading of passwords with whitespace and other
43  special characters.
44 
45 * Add zsh support to activate/deactivate scripts & zsh completions.
46 
47 * Fix c_long overflow (for i386 systems) bug in Fortran kim_collections_module.
48 
49 * Rework 'kim-api-collections-management install xxx OpenKIM' behavior. Now
50  installs the latest official release archive found at
51  https://s3.openkim.org/archives/collection/. This also greatly reduces the
52  total build and install time.
53 
54 * Redefine/refactor KIM::Collections behavior for finding item names.
55  Previously, a shared library file was found, opened, and checked for
56  validity. To significantly improve performance, now simply the existence of
57  the shared library file is used to identify available item names.
58 
59 * Redefine/refactor collections-management and collections-info to remove
60  '--with-version' option.
61 
62 * Fixup and improve Fortran example codes.
63 
64 * Added reopology.org graphic of available binaries to README.md.
65 
66 
67 === kim-api-2.1.0 =============== 16Jul2019 ====================================
68 
69 * Added new KIM::SimulatorModel interface providing programatic support to
70  simulators for packaging of parameter files, input commands, and metadata
71  necessary to run a simulator's native potentials.
72 
73 * Added new KIM::Collections interface (and the supporting extensible
74  enumerations KIM::Collection and KIM::CollectionItemTypes) providing
75  programatic access to the KIM API Collections and its configuration settings.
76  (This included a refactor and removal of old_KIM_API_DIRS.*.)
77 
78 * Convert from old 'models' to 'portable-models' nomenclature for KIM API
79  collections, including environment variables, configuration file, etc. (For
80  backward compatibility, the old configuration file format is still accepted.)
81 
82 * Added support for Metadata files to (internal) KIM::SharedLibrary and
83  programatic access to these files from the new KIM::Collections interface.
84 
85 * Automatically add standard openkim.org metadata files (kimspec.edn,
86  kimprovenance.edn, and kimcite-*.bib) to an item's shared library if they
87  exist.
88 
89 * Significant documentation updates to describe the new interfaces as well as
90  changing to the the Portable Model (PM) and Simulator Model (SM) terminology.
91 
92 * Added explicit documentation of Fortran interfaces for routines called by the
93  KIM API (ModelCreate, ModelDestroy, GetNeighborList, etc.).
94 
95 * Added mention of "Toy Models" to documentation.
96 
97 * Added data-type error checking for Portable Model parameter get/set routines;
98  Thanks to Daniel Schopf.
99 
100 * Bug fixes and improvements to kim-api-collections-management script
101 
102 * Added support for Include-What-You-Use (IWYU).
103 
104 * Added (internal) copy of edn-cpp parser for use with SMs.
105 
106 * Updated existing examples as necessary and added SM example.
107 
108 * Added new "unit-test" examples of simulators using the Collections and SM
109  interfaces.
110 
111 * Improvement to pkgconfig support; Thanks to Christoph Junghans.
112 
113 * Added new tests to CI, based on INSTALL file.
114 
115 * Updates create-package script and added run-cmds-from-install script.
116 
117 * Added .clang-format-hook-ignore file and mechanism (specifically for edn-cpp).
118 
119 * Updates to better support binary installation on various systems.
120 
121 * Added CDDL headers to files that did not have them.
122 
123 
124 === kim-api-2.0.2 =============== 28Mar2019 ====================================
125 
126 * Transition from 'kim-api-v2' naming to 'kim-api' for better alignment with
127  open source conventions
128 
129 * Added a simulator model example
130 
131 * Refactored support for simulator models: separated from models in collections.
132  Updated collections-management utility appropriately
133 
134 * Updated calls to scanf() for better security
135 
136 * Refactored old_KIM_API_DIRS.cpp to remove calls to 'exit()'
137 
138 * Added build options to set system collection directories
139 
140 * Added support for colon-separated list of directories for user and system
141  collections
142 
143 * Added '--version' flag to utilities
144 
145 * Update bash completion to work with old and new bash
146 
147 * Improve robustness of creat-package script
148 
149 * Updated badges to point to 'devel' branch & create-package to change to
150  'master' branch for release commit
151 
152 * Added coverity & codecov badges to README.md
153 
154 * Added vX.Y.Z-git tags to git repo and updated create-package script
155 
156 * Added NEWS file to Doxygen documentation & updated doxygen settings
157 
158 * Improved version build metadata string using "git describe"
159 
160 * Updated link flags for codecov
161 
162 
163 === kim-api-v2-2.0.1 ============ 27Feb2019 ====================================
164 
165 * Fix bug in KIM::SemVer::ParseSemVer()
166 
167 * Various minor fixes to address issues identified by Coverity Scan
168 
169 * Fix version string in libkim-api-v2.pc to conform to RPM schema
170 
171 * Added advanced CMake options for compilers used to build items after install
172 
173 * Added item install prefix CMake variables to cache; helps with packaging
174 
175 * Remove dead code in top level CMakeLists.txt
176 
177 
178 === kim-api-v2-2.0.0 ============ 06Feb2019 ====================================
179 
180 * Update main documentation.
181 
182 * Added function level documentation with cross-references and input/output
183  argument descriptions.
184 
185 * Added Known() member function to extensible enumerations.
186 
187 * Extensible enumeration default constructors now create uninitialized objects.
188 
189 * Rename C++ *.String() routines to *.ToString.
190 
191 * Added 'recursive' to all Fortran routines (for better thread safety).
192 
193 * Added support files for readthedocs.
194 
195 * Additions and fixes for collections-management utility.
196 
197 * Travis CI configuration updates.
198 
199 * Avoid some compiler warnings from clang.
200 
201 * Various CMake fixes/adjustments.
202 
203 * Various bug fixes in api code.
204 
205 
206 === kim-api-v2-2.0.0-beta.3 ===== 07Dec2018 ====================================
207 
208 * Updated and added examples to work with and demonstrate api changes/additions
209 
210 * Implemented new KIM::Model::IsRoutinePresent interface to facilitate
211  backward compatibility
212 
213 * Updated SpeciesName entries for recently renamed periodic table elements
214 
215 * Added WriteParameterizedModel Routine and assoc. code
216 
217 * Added Extension Routine to allow for non-standard extensions
218 
219 * Added Push/Pop Default Verbosity to KIM::Log
220 
221 * Changed Release default LogVerbosity to INFORMATION
222 
223 * Added ctest test for items to check that shared libraries can be opened
224 
225 * Improvements to Collections-Management behavior
226 
227 * Removed unnecessary header files
228 
229 * Updated travis.ci configuration
230 
231 * Refactored some backend implementation to improve maintainability, including
232  significant new KIM_SharedLibrarySchema interface
233 
234 * Improvements to CMake build system
235 
236 * Updated create-package script
237 
238 * Updated documentation
239 
240 
241 === kim-api-v2.0.0-beta.2 ======= 28Oct2018 ====================================
242 
243 * CMake build and test replaces custom Makefiles; added travis, gitlab CI
244  A big thank you to Richard Berger and Christoph Junghans for their major
245  contribution in getting the KIM API package converted to CMake.
246 
247 * Using standard pkg-config setup instead of custom kim-api-v2-build-config
248 
249 * Major restructuring of the Fortran bindings.
250 
251 * Make ModelRefresh and ModelComputeArgumentsDestroy functions optional
252 
253 * Add Model routine and callback prototypes in KIM_Functions header
254 
255 * Add a required unique name field for parameters.
256 
257 * Refactoring of neighbor list hints. The half-list hint had a fatal flaw
258  which required its removal.
259 
260 * Significant refactoring of the logging macros in C and C++. Complete removal
261  of all preprocessing for Fortran.
262 
263 * Redesign of release and packaging script and process.
264 
265 * Added a couple of new models that illustrate various features of the api.
266 
267 * Removed v1 to v2 porting guide.
268 
269 * "Summary of Differences Between kim-api-v1 and kim-api-v2" docs page now
270  contains tables with a complete listing of all kim-api identifiers in all
271  languages and their mappings between one-another.
272 
273 * Complete update of documentation. Rework and correct definition of
274  partialVirial and partialParticleVirial.
275 
276 * Added emacs cc-mode settings
277 
278 * Added clang-format settings, scripts, and git-hooks for C/C++
279 
280 * Complete review of C++, C, and Fortran bindings for consistency
281 
282 * Many other small and not-so-small changes.
283 
284 
285 === kim-api-v2.0.0-beta.1 ======= 07Jul2018 ====================================
286 
287 * Fix memory leak and uninitialized variables id'ed by coverity scan.
288 
289 * Update docs and porting guide for neighbor list hints changes.
290 
291 * Implement neighbor list hints (paddingNeighbor & halfList); update examples.
292 
293 * Add SetArgumentPointer(xxx * const ptr) to C++ bindings for consistency.
294 
295 * Add C++ LennardJones_Ar stand-alone model example.
296 
297 * Fix compatibility checking code in example simulators.
298 
299 * Update LennardJones612 example to use 1/2 list short-circuit mechanism.
300 
301 * Fix collections-info to set log verbosity to debug.
302 
303 * Use NULL consistently to initialize pointers in implemenation code.
304 
305 
306 === kim-api-v1.9.7 ============== 07Jul2018 ====================================
307 
308 * Check for errors from mkdir() in KIM_API_DIRS.cpp (id'ed by coverity scan).
309 
310 * Fix support for required-compute of forces in utility-forces-numer-deriv.
311 
312 * Fix identifiers in bash-completions.
313 
314 * Added --log option to CM 'list' command.
315 
316 * Use fixed seed for random number generator in utility-forces-numer-deriv.
317 
318 
319 === kim-api-v2.0.0-beta.0 ======= 26Jun2018 ====================================
320 
321 * Added a 'Guide for porting content from KIM API v1 to v2' to documentation
322 
323 * Documentation updates and improvements
324 
325 * Implemented extensive error checking and logging within the API
326 
327 * Separated Model object into ComputeArguments and Model
328 
329 * Many refinements and corrections to the new API
330 
331 
332 === kim-api-v1.9.6 ============== 26Jun2018 ====================================
333 
334 * Updated INSTALL file
335 
336 * Added 'install OpenKIM_with_history' and 'install --force' options to the
337  collections-management utility
338 
339 * Collections-management utility now cleanly handles an unaccessible openkim.org
340 
341 * Fixed bugs and made improvements to build system
342 
343 
344 === kim-api-v1.9.5 ============== 12May2018 ====================================
345 
346 * Update build system to support parallel builds (make -j).
347 
348 * Fixed bug in collections-management for "install OpenKIM" option.
349 
350 * Update INSTALL file
351 
352 
353 === kim-api-v1.9.4 ============== 09Apr2018 ====================================
354 
355 * Added '--interactive' option to collections-management utility.
356 
357 * Added Travis-CI support through GitHub.
358 
359 * Fixed bugs in collections-management utility.
360 
361 * Fixed bugs in build system.
362 
363 
364 === kim-api-v1.9.3 ============== 10Feb2018 ====================================
365 
366 * Major additions to options supported by the kim-api-v1-collections-management
367  utility. Added options include:
368 
369  - list --with-version
370  - install CWD
371  - install environment
372  - reinstall
373  - remove-all
374 
375  Additionally, items can now be installed from a source directory on the local
376  file system. Also, multiple items can be listed on a single command line.
377 
378 * Added a kim-api-v1-activate/deactivate utilities (available when installed to
379  non-standard locations). These add/remove to PATH and setup the bash
380  completions.
381 
382 * Added bash completions for user utilities
383 
384 * Added support for the sysconfdir variable to the build system
385 
386 * Updated utilities to more closely follow docopt.org specifications.
387 
388 * Model/Driver 'make install-*' now respect the DESTDIR environment variable.
389 
390 * Added support for Model/Driver install to the environment collection.
391 
392 * Add tracking of Parameterized Model parameter file file-names within the
393  generated model shared library.
394 
395 * Rename vc_* examples to utility_* to avoid confusion with new openkim.org
396  Verification Checks.
397 
398 * Various minor typo and bug fixes.
399 
400 
401 === kim-api-v2.0.0-alpha.0 ====== 18Jan2018 ====================================
402 
403 * Complete rewrite of the kim-api package. Released as "alpha" to solicit
404  feedback from the user community. Changes (possibly incompatible) will be
405  made based on user experience.
406 
407 * Major changes are summarized below.
408 
409 * NBCs have been eliminated.
410 
411 * KIM descriptor files have been eliminated.
412 
413 * A new memory management scheme has been adopted.
414 
415 * The api is now much more consistent within each language (C++, C, Fortran)
416  binding.
417 
418 * Improved logging facilities and error messages.
419 
420 * Added Doxygen generated documentation. (See the docs for more details on
421  this version of the kim-api and on the differences between v1 and v2.)
422 
423 
424 === kim-api-v1.9.2 ============== 08Oct2017 ====================================
425 
426 * Update scripts to use xz compressed tarballs (txz) instead of gz (tgz). This
427  is for compatibility with the recent removal of tgz support on openkim.org.
428 
429 
430 === kim-api-v1.9.1 ============== 27Sep2017 ====================================
431 
432 * Adjustment to build config flags to make cross-language compiling a bit more
433  flexible
434 
435 * Fix subtle Fortran implementation bug associated with non-short-circuit
436  conditional fortran behavior
437 
438 * Remove 'make install-set-default-to-v1' target and update INSTALL instructions
439  No longer have kim-api-build-config, etc. Now they explicitly include the
440  major version number. For example, kim-api-v1-build-config
441 
442 * Make some shell code more portable
443 
444 * Fixed some other installation details
445 
446 * Fixed missing semi-colon in makefile
447 
448 
449 === kim-api-v1.9.0 ============== 09Sep2017 ====================================
450 
451 * Added collections-management user utility to manage build and install
452  of OpenKIM Models and Model Drivers
453 
454 * Added support for "Simulator Models"
455 
456 * Dramatically simplify build system by removing supported scenarios.
457  + Removed static-link build option
458  + Removed "in-place" build scenario
459  + Added support and use of the libexec directory to distinguish between
460  user executable utilities and program executable utilities
461 
462 * Incorporate fix to configure script contributed by Christoph Junghans
463 
464 * Fix minor bugs in KIM_API_DIRS
465 
466 
467 === kim-api-v1.8.2 ============== 17Apr2017 ====================================
468 
469 * Fixed issues reaised by Tobias Brink (this==NULL; and `find` portability)
470 
471 
472 === kim-api-v1.8.1 ============== 28Mar2017 ====================================
473 
474 * Added additional deprecations in prep. for kim-api-v2.0.0
475 
476 * Fixed other minor bugs in create_package script and build-config.cpp
477 
478 * Fixed bug in Makefile.ParameterizedModel
479 
480 * Fixed formatting error in Makefiles created by build-config utility
481 
482 * Fixed bug in ex_model_Ar_P_MLJ_CLUSTER_C example model
483 
484 
485 === kim-api-v1.8.0 ============== 17Jan2017 ====================================
486 
487 * Deprecated significatant features and methods in prep. for kim-api-v2.0.0
488 
489 * Updated `build-config' utility with more flexible options
490 
491 * Removed `KIM_LINK = dynamic-link' option of build system
492 
493 * Modified/Fixed/Improved the configuration and build system
494 
495 * Added `collections-info' utility for querying environment variables,
496  user configuration files, and lists of models and model drivers in the
497  collections.
498 
499 
500 === kim-api-v1.7.3 ============== 02Jun2016 ====================================
501 
502 * Added a `configure' script for setting up Makefile.KIM_Config
503 
504 * Added support for environment-variable-collection
505 
506 * Added support for user_config_file_dir_name setting
507 
508 * Documentation update/improvements
509 
510 * Minor improvements to error messages
511 
512 * Added `make add-OpenKIM' feature
513 
514 * Added `make help' feature
515 
516 * Added release dates to NEWS file
517 
518 * Bug fixs
519 
520 
521 === kim-api-v1.7.2 ============== 25Jun2015 ====================================
522 
523 * Updated copyright years in files
524 
525 * Rewrite of INSTALL file to provide a significantly improved description and
526  instructions for build and installation of the KIM API
527 
528 * Fix error checking bug in ex_test_Ar_multiple_models Test
529 
530 * Improve the build and install process to better follow standard conventions
531  for library soname values.
532 
533 * Increased the maximum number of species supported by the example Tests to 200
534 
535 * Fixed bug in example Tests related to maximum number of supported species
536 
537 * Updated 'make clean' so that it removes all old library files in the source
538  directories
539 
540 * Fixed default make target for Parameterized Models
541 
542 * Fixed a bug in the installation process associated with the use of DESTDIR
543 
544 * Fixed a regular expression error in the build system
545 
546 * Fixed memory leak in internal KIM API code
547 
548 * Added sanity check to make sure that the 'xxd' utility is available
549 
550 * vc_forces_numer_deriv now outputs configuration energy
551 
552 * Documentation updates
553 
554 
555 === kim-api-v1.7.1 ============== 02Dec2014 ====================================
556 
557 * Bug fix for build of parameterized Models
558 
559 * Minor documentation update
560 
561 
562 === kim-api-v1.7.0 ============== 21Nov2014 ====================================
563 
564 * Use 'xxd' utility for encapsulation of KIM descriptor files and param. files
565 
566 * Added LINKSOPATH variable to build system for advanced system install options
567 
568 * Added KIM_API_get_kim_str_len() routine
569 
570 * Fix inconsistencies in ex_test_Ar_multiple_models
571 
572 * remove build system dependency on 'ed' program
573 
574 * Update 'make add-*' mechanism to use permanent url's for openkim.org items
575 
576 * Fix bugs and minor improvements to build system
577 
578 * Minor improvements to error messages
579 
580 * Updates to documentation
581 
582 
583 === kim-api-v1.6.3 ============== 18Aug2014 ====================================
584 
585 * Fixed install to recognize := and = in Makefiles
586 
587 * Removed use of non-standard strtok_r()
588 
589 * Fixes to ex_model_Cu_PF_Johnson & model_El_PF_Template.c
590 
591 * Fixes build system
592 
593 
594 === kim-api-v1.6.2 ============== 11Aug2014 ====================================
595 
596 * Correct KIM_API_Versions in template ".kim" files
597 
598 * Update make clean target for Model Drivers and Models
599 
600 * All template ".kim" files now generated from "legos" in git repo
601 
602 
603 === kim-api-v1.6.1 ============== 08Aug2014 ====================================
604 
605 * Updates to Model Driver and Model template files (in docs/templates/)
606 
607 * Changed the internal mechanism for handling parameter files to remove a
608  security hole associated with the use of tmpnam().
609 
610 * Revise kim.log entries to be more informative and clear
611 
612 * Bug fixes in build system, examples, and build system
613 
614 * Other small documentation and code improvements
615 
616 
617 === kim-api-v1.6.0 ============== 28Jul2014 ====================================
618 
619 * Documentation updates.
620 
621 * Model Driver Template and training model examples are now generated from a
622  single consistent "lego" file. Training examples are not included in
623  official release tarballs.
624 
625 * Add SemVer version routines to the KIM API. ".kim" files now require a
626  KIM_API_Version line to indicate the Model/Simulator compatibility.
627 
628 * Change terminology from "Particle Types" to "Particle Species" for clarity
629  and uniformity with the rest of the OpenKIM project. (See
630  KIM_API_get_model_species(), and similar routines.)
631 
632 * Changed KIM API routines that output strings. This avoids output of arrays
633  of strings, which are unnatural in C/C++ and allows for more natural handling
634  of string arguments in Fortran. (See: KIM_API_get_NBC_method(),
635  KIM_API_get_params(), and similar routines.)
636 
637 * Simulators and OpenKIM Tests now should use the "kim-api-build-config"
638  utility in order to obtain appropriate compiler and linker flags for building
639  against the KIM API.
640 
641 * Changed CCFLAGS to more standard CFLAGS Make variable.
642 
643 * Build system now provides ability to download Model Drivers and Models
644  directly from openkim.org.
645 
646 * Change package name from "openkim-api" to "kim-api".
647 
648 * Rename this file (CHANGELOG) to NEWS, to better follow convention.
649 
650 * A complete restructuring of the package directory layout has been performed
651  in order to conform to more standard practices and to better reflect the
652  intended behavior and use of the package components.
653 
654 * Model Drivers now specify the name of their ".kim" file template in their
655  Makefile. The conventional name for these files now ends in ".kim.tpl".
656 
657 * Model ".kim" file name is now specified in the Makefile and can be anything
658  the developer desires.
659 
660 * Remove deprecated KIM_API_init() routine.
661 
662 * Remove deprecated Fortran Cray pointer support.
663 
664 
665 === openkim-api-v1.5.0 ========== 16Jul2014 ====================================
666 
667 * Documentation updates, including an extensive discussion of the installation
668  process in INSTALL.
669 
670 * Update examples to use KIM_API_file_init() and name their ".kim" file
671  "descriptor.kim" in accordance with the new convention of the openkim.org
672  processing pipeline.
673 
674 * Deprecate KIM_API_init() and add KIM_API_file_init() to replace it as the
675  primary openkim.org Tests should initialize the KIM API and specify their KIM
676  descriptor files.
677 
678 * Portability fixes for the make system
679 
680 * Move away from naming various files based on the item (Model Driver, Model,
681  Test) name. Instead establish standard names for each item type.
682 
683 * Added Makefile.Version to provided the make system with version information
684  and set policy (based on SemVer 2.0.0) for how, when, and why to update the
685  version.
686 
687 * Significant updates to the make system. Primarily associated with
688  installation of the KIM API to a system-wide location, and its use once
689  installed there.
690 
691 
692 === openkim-api-v1.4.1 ========== 19May2014 ====================================
693 
694 
695 * Added additional compiler flags to support differences between GCC and INTEL
696 
697 * Fixed examples that used set_data when they should have used set_method.
698 
699 * Added LDLIBS flag in split functionality of LDFLAGS variable more
700  appropriately. This is more inline with standard Makefile practice.
701 
702 * Now 32Bit and 64Bit settings add -m32 and -m64 compiler flags automatically
703 
704 * Added KIM_MAKE_VERBOSITY setting to Make system
705 
706 * Updates to README, INSTALL, and Templates
707 
708 * Make system improvements and fixes
709 
710 * Added checks for known buggy compilers
711 
712 * Updated and corrected documentation
713 
714 
715 === openkim-api-v1.4.0 ========== 26Feb2014 ====================================
716 
717 
718 * Improvements to robustness and efficiency of MAKE_SYSTEM
719 
720 * Updated copyright years in files
721 
722 * Updated documentation to reflect new Fortran 2003 bindings
723 
724 * Converted DOCS/TEMPLATES/ to Fortran 2003 bindings
725 
726 * Made significant improvement to neighbor list handling in example Tests
727 
728 * Made some minor improvements to example Models and Model Drivers
729 
730 * Converted example Models, Model Drivers, and Tests to Fortran 2003 bindings
731 
732 * DEPRECATED all Cray pointer bindings and associated code
733 
734 * Added Fortran 2003 bindings
735 
736 
737 === openkim-api-v1.3.1 ========== 20Jan2014 ====================================
738 
739 
740 * Fixes to make system to avoid undefined `directoryPATH()' symbol with INTEL
741  compilers and CYGWIN systems
742 
743 * Added notes to INSTALL for gun 4.4 and CYGWIN systems
744 
745 * Fixes to make system to work with gnu make 3.81 (avoid segmentation faults)
746 
747 
748 === openkim-api-v1.3.0 ========== 10Dec2013 ====================================
749 
750 
751 * change KIM_KEY_STRING_LENGTH to 128 (despite git log that says 257)
752 
753 * Split .kim files and parameter files into chunks to stay under C++ supported
754  string literal length.
755 
756 * Fix for dynamic-link compile option
757 
758 * Some minor code fixes/updates and documentation updates
759 
760 * Updates to `make install'
761 
762 * Fix bug in FCC example Tests
763 
764 * Fix/Update Templates
765 
766 * Fix a bug in Makefile.Test
767 
768 * Added KIM_API_get_rank and KIM_API_get_rank_by_index functions
769 
770 
771 === openkim-api-v1.2.3 ========== 15Nov2013 ====================================
772 
773 
774 * Fixed bugs in the KIM_API_string_init() function (discovered by Daniel Schopf)
775 
776 * Fixed a memory leak in the api (patch provided by Tobias Brink)
777 
778 * Moved `include "KIM_API_DIRS.h"' from KIM_API.h to KIM_API.cpp. This ensures
779  that this header file does not need to be installed by the `make install'
780  command.
781 
782 * Changes to Makefiles to improve portability (of `make uninstall')
783 
784 * Some minor changes to api code to remove compiler warnings from some compilers
785 
786 
787 === openkim-api-v1.2.2 ========== 17Sep2013 ====================================
788 
789 
790 * Improved speed of make system when many Models/Tests (and Drivers) exist
791 
792 * Improved an aspect of the api's error checking/reporting
793 
794 
795 === openkim-api-v1.2.1 ========== 21Jul2013 ====================================
796 
797 
798 * Reverted to gnu make v3.81 from v3.82 to better represent actual needs.
799 
800 
801 === openkim-api-v1.2.0 ========== 12Jul2013 ====================================
802 
803 
804 * Documentation updates.
805 
806 * Various bug fixes.
807 
808 * Added support for searching ${HOME}/.kim/ and ./ for Models and Model Drivers
809  when the package is installed via the `make install' command.
810 
811 * Added install and uninstall targets to the Make system.
812 
813 * Now the build system (in dynamic-load and dynamic-link modes) hides all
814  symbols in the Model Driver and Model libraries except for the model_init()
815  function and the Model's kim descriptor string. This means that there is no
816  need to worry about symbol clashes between Models, Model Drivers, or Tests.
817 
818 * Implemented dynamic-load, dynamic-link, and static-link build options.
819 
820 * Make system now provides only summary information on the build process. This
821  makes the progress easier to understand. To see the actual build commands
822  use `make -n'.
823 
824 * Removed `integer*8' and changed `real' and `real*8' to `float' and `double'.
825 
826 * Now use -g, -Wall, and -pedantic by default for all compilations.
827 
828 * Changed model_init() function conventions to simplify the scheme. This also
829  resulted in the removal of the Model or Test name from the descriptor files.
830 
831 * Added the openkim-api-descriptor-file-match utility.
832 
833 * Completely rewrote and streamlined the openkim-api Make system
834 
835 * Changed directory names from trailing `s' to trailing `S'.
836 
837 * Updated example Tests and Models to use the new get/set method routines.
838 
839 * Added `const' to api string parameters to avoid warnings in Models and Tests
840 
841 * Added get/set method routines to properly transfer pointers to functions
842  or methods via the api.
843 
844 * Added support to examples for NEIGH_RVEC_H.
845 
846 * Added the NEIGH_RVEC_H NBC method.
847 
848 * Added ex_free_cluster_CLUSTER_memory F90 Test which manages its own memory.
849 
850 * Added ex_model_Cu_PF_Johnson C pair-functional model and template.
851 
852 * Updates and bug fixes in example Models.
853 
854 * Bug fixes for vc_forces_numer_deriv and added vc_config_ener_forces and
855  vc_forces_delta to the distribution.
856 
857 
858 === openkim-api-v1.1.1 ========== 19Aug2012 ====================================
859 
860 
861 * Added run_forces_numer_deriv_for_all_models script that will run and
862  summarize the results of vc_forces_numer_deriv for all available Models.
863 
864 * Added vc_forces_numer_deriv "verification check" that can be used with any
865  Model to check the consistency of its computed forces with a numerical
866  derivative based on the Model's energy.
867 
868 * Fixed a bug in the MI_OPBC_* support for ex_model_Ne_P_fastLJ
869 
870 * Fixed a bug in the make system that occurred when using static linking that
871  would cause some Models to be incorrectly identified as "unknown"
872 
873 * ex_test_*_free_cluster and ex_test_*_free_cluster_stiff now support CLUSTER
874  NBC (which means they work with ALL NBC methods)
875 
876 * Documentation updates
877 
878 * Updated 32/64 bit switching in Fortran code for easier maintenance
879 
880 * Moved library compile flags to end of command line to make sure all libraries
881  are correctly associated with the appropriate .so files
882 
883 * Cleaned up ex_model_driver_P_* and ex_model_Ne_P_fastLJ to simplify memory
884  management and PARAM_* handling
885 
886 
887 === openkim-api-v1.1.0 ========== 12Jul2012 ====================================
888 
889 
890 * Documentation updates
891 
892 * Introduced the use of THIS_FILE_NAME in Fortran examples instead of __FILE__.
893  This allows for easily setting the value of THIS_FILE_NAME to something
894  appropriate (short) when the default preprocessor value of __FILE__ is longer
895  that 132 characters (the max line length for Fortran)
896 
897 * Changed KIM standard time unit from `fs' to `ps' to be consistent with LAMMPS
898  `metal' unit system
899 
900 * Changed KIM_COMPUTE and KIM_NOT_COMPUTE to KIM_COMPUTE_TRUE and
901  KIM_COMPUTE_FALSE, respectively
902 
903 * Removed KIM_API_MAX_NEIGHBORS; the api no longer puts any restriction on the
904  number of neighbors for an atom
905 
906 * Updated api and examples to always `return' with an error code instead of
907  `exit' or `stop'. This allows the Test to handle errors and is a better
908  convention for error handling
909 
910 * Added KIM_STATUS_MODEL_UNSUPPORTED_CONFIGURATION for cases where a
911  configuration is identified at run time as unsupported
912 
913 * Removed requirement for a trailing `/' in environment variables (such as
914  $KIM_DIR)
915 
916 * Added make warning if `make' is invoked from a Model directory when static
917  linking is being used.
918 
919 * Added `make examples-force' target
920 
921 * `make examples' only copies files; it no longer also compiles everything
922 
923 * Changed all call-back interfaces (model_init, model_reinit, model_compute,
924  model_destroy) to be consistent: integer functions (in Fortran speak). Also
925  updated examples and templates to conform to this new interface.
926 
927 * Added get_model_partcl_typs() and get_test_partcl_type() service routines
928  Removed get_partcl_types() routine.
929 
930 * Added ability of a Model/Model Driver to set its particle type codes at
931  runtime
932 
933 * Added support for .kimignore files in MODELS, MODEL_DRIVERS, and TESTS
934  directories
935 
936 * Added `Temperature' to standard.kim for "temperature dependent" Models
937 
938 * New Model Driver interface supports reading from any number of files (not
939  strings)
940 
941 * Support for 001-999 particle types in Model Drivers
942 
943 * Use $(strip ) function to avoid difficult trailing space problem in make files
944 
945 * Rearranged and simplify compiler settings files
946  (KIM_API/*_compiler_settings.mk)
947 
948 * Changed CPPLIBFLAG to LINKLIBFLAG in Make files to better represent its use
949 
950 * Many improvements to Make-system portability
951 
952 * Carriage returns are now striped from kim and parameter files during Make
953 
954 * Improvements to the vc_forces_numer_deriv verification check
955 
956 * Bug fixes for KIM_API_init() matching
957 
958 * Significant clean-up/rearrangement of core api code
959 
960 
961 === openkim-api-v1.0.1 ========== 25Feb2012 ====================================
962 
963 
964 * Bug fix to ex_model_Ne_P_fastLJ
965 
966 * Bug fix to ex_model_Al_PF_ErcolessiAdams (and associated template file)
967 
968 * Documentation updates
969 
970 
971 === openkim-api-v1.0.0 ========== 22Feb2012 ====================================
972 
973 
974 * Moved all examples to EXAMPLES directory and added `make examples' target.
975 
976 * Renamed all example Model Drivers, Models, and Tests. Now have `ex_' prefix.
977 
978 * Renamed nearly all API functions to improve readability and comprehension.
979 
980 * Changed KIM_API_get_half_neigh and KIM_API_get_full_neigh to just
981  KIM_API_get_neigh.
982 
983 * Total re-work of unit handling for the API.
984 
985 * Added KIM_API_model_info() function for Tests to use for discovering what a
986  Model supports.
987 
988 * Added KIM_API_getm_* and KIM_API_setm_* routines to get/set multiple arguments
989  in one function call.
990 
991 * Added KIM_API_sting_init() for use by Tests that generate their KIM descriptor
992  file "on-the-fly".
993 
994 * Added process_dEdr and process_dE2dr2 approach for calculating general
995  properties. Currently automatic support for `virial', `particleVirial', and
996  `hessian' is available.
997 
998 * Added "unsymmetric half neighbor lists" (numberContributingParticles).
999 
1000 * Added model/test buffers for use by Model and Test, respectively.
1001 
1002 * Improvements in dynamic linking setup.
1003 
1004 * Examples additions, improvements, and bug fixes.
1005 
1006 * Bug fixes.
1007 
1008 
1009 === openkim-api-v0.2.0 ========== 15Sep2011 ====================================
1010 
1011 
1012 * Updated documentation
1013 
1014 * Added KIM_API_report_error() service function and updated all examples
1015  and templates to use this function.
1016 
1017 * Added KIMstatus.h which contains definitions of KIM status codes.
1018 
1019 * Added KIM_API_status_msg() service routine to return a string describing a
1020  given status code.
1021 
1022 * Updated messages printed to kim.log file to be more informative.
1023 
1024 * Model KIM descriptor files are now incorporated into the Model's binary
1025  library file. This means that the file is no longer required at run time and
1026  that the Model must be recompiled after changes to the descriptor file.
1027 
1028 * Added Model Driver Templates
1029 
1030 * Added two Model Drivers and four Models based on the Model Drivers
1031 
1032 * Removed example model_Ar_P_MMorse in favor of the Morse Driver and its Models
1033 
1034 * Added support for Model Drivers
1035 
1036 * Bug fixes
1037 
1038 
1039 === openkim-api-v0.1.2 ========== 22Aug2011 ====================================
1040 
1041 
1042 * Fixed a number of bugs in the examples related to running on 64bit machines
1043 
1044 * Fixed a bug in kim_api_get_nbc_method_f() related to running on 64bit
1045  machines
1046 
1047 
1048 === openkim-api-v0.1.1 ========== 16Aug2011 ====================================
1049 
1050 
1051 * Fixed memory handling bug associated with the service functions
1052  KIM_API_get_listAtomTypes()
1053  KIM_API_get_listParams()
1054  KIM_API_get_listFreeParams()
1055  KIM_API_get_listFixedParams()
1056  KIM_API_get_NBC_method()
1057 
1058 * Fixed bug in test_**_free_cluster.F90
1059 
1060 * Renamed `README.git' to `README_GIT' to avoid confusion with the
1061  git convention that the extension `.git' refers to a bare repository
1062 
1063 
1064 === openkim-api-v0.1.0 ========== 08Aug2011 ====================================
1065 
1066 
1067 * Added TEMPLATE files to help users create their own KIM Models.
1068 
1069 * Added a number of example Models and Tests to help users understand how to
1070  implement their own openkim-api compliant codes.
1071 
1072 * Added support for ATOM/PARTICLE types
1073 
1074 * Added support for Models to publish their parameters
1075 
1076 * Added support for Models to define a `reinit' function for use when their
1077  parameters are changed by a Test.
1078 
1079 * Improved the Makefile system in general (although, more needs to be done)
1080 
1081 * Added support for neighbor list and boundary conditions (NBC)
1082 
1083 * Added support for dynamic linking
1084 
1085 * Updated documentation
1086 
1087 * Added documentation to the standard.kim file which now describes in detail
1088  the format and content of KIM descriptor files.
1089 
1090 * Added README files to every directory. These files provide a short
1091  (hopefully helpful) description of the contents of the directory)
1092 
1093 
1094 === openkim-api-v0.0.0 =========================================================
1095 
1096 
1097 The initial release of the openkim-api package. This was first made available
1098 to participants at the Inaugural Openkim Workshop held in San Diego, CA on
1099 Feb. 26-27, 2011.