source: COPYING@ 327364

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 327364 was ba9f5b, checked in by Frederik Heber <heber@…>, 14 years ago

Merge branch 'TestSHBranch' of ../espack into stable

Conflicts:

AUTHORS
COPYING
Makefile.am
README
configure.ac

./test_sh.all was not in molecuilder subdirectory. Hence, i introduced it by hand again, cherry-picking commits from the ESPACK repo.

  • Property mode set to 100644
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558 Nothing in this License shall be construed as excluding or limiting
559any implied license or other defenses to infringement that may
560otherwise be available to you under applicable patent law.
561
562 12. No Surrender of Others' Freedom.
563
564 If conditions are imposed on you (whether by court order, agreement or
565otherwise) that contradict the conditions of this License, they do not
566excuse you from the conditions of this License. If you cannot convey a
567covered work so as to satisfy simultaneously your obligations under this
568License and any other pertinent obligations, then as a consequence you may
569not convey it at all. For example, if you agree to terms that obligate you
570to collect a royalty for further conveying from those to whom you convey
571the Program, the only way you could satisfy both those terms and this
572License would be to refrain entirely from conveying the Program.
573
574 13. Use with the GNU Affero General Public License.
575
576 Notwithstanding any other provision of this License, you have
577permission to link or combine any covered work with a work licensed
578under version 3 of the GNU Affero General Public License into a single
579combined work, and to convey the resulting work. The terms of this
580License will continue to apply to the part which is the covered work,
581but the special requirements of the GNU Affero General Public License,
582section 13, concerning interaction through a network will apply to the
583combination as such.
584
585 14. Revised Versions of this License.
586
587 The Free Software Foundation may publish revised and/or new versions of
588the GNU General Public License from time to time. Such new versions will
589be similar in spirit to the present version, but may differ in detail to
590address new problems or concerns.
591
592 Each version is given a distinguishing version number. If the
593Program specifies that a certain numbered version of the GNU General
594Public License "or any later version" applies to it, you have the
595option of following the terms and conditions either of that numbered
596version or of any later version published by the Free Software
597Foundation. If the Program does not specify a version number of the
598GNU General Public License, you may choose any version ever published
599by the Free Software Foundation.
600
601 If the Program specifies that a proxy can decide which future
602versions of the GNU General Public License can be used, that proxy's
603public statement of acceptance of a version permanently authorizes you
604to choose that version for the Program.
605
606 Later license versions may give you additional or different
607permissions. However, no additional obligations are imposed on any
608author or copyright holder as a result of your choosing to follow a
609later version.
610
611 15. Disclaimer of Warranty.
612
613 THERE IS NO WARRANTY FOR THE PROGRAM, TO THE EXTENT PERMITTED BY
614APPLICABLE LAW. EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT
615HOLDERS AND/OR OTHER PARTIES PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY
616OF ANY KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO,
617THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
618PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE PROGRAM
619IS WITH YOU. SHOULD THE PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF
620ALL NECESSARY SERVICING, REPAIR OR CORRECTION.
621
622 16. Limitation of Liability.
623
624 IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING
625WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MODIFIES AND/OR CONVEYS
626THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES, INCLUDING ANY
627GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE
628USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF
629DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD
630PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS),
631EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF
632SUCH DAMAGES.
633
634 17. Interpretation of Sections 15 and 16.
635
636 If the disclaimer of warranty and limitation of liability provided
637above cannot be given local legal effect according to their terms,
638reviewing courts shall apply local law that most closely approximates
639an absolute waiver of all civil liability in connection with the
640Program, unless a warranty or assumption of liability accompanies a
641copy of the Program in return for a fee.
642
643 END OF TERMS AND CONDITIONS
644
645 How to Apply These Terms to Your New Programs
646=======
647this service if you wish), that you receive source code or can get it
648if you want it, that you can change the software or use pieces of it
649in new free programs; and that you know you can do these things.
650
651 To protect your rights, we need to make restrictions that forbid
652anyone to deny you these rights or to ask you to surrender the rights.
653These restrictions translate to certain responsibilities for you if you
654distribute copies of the software, or if you modify it.
655
656 For example, if you distribute copies of such a program, whether
657gratis or for a fee, you must give the recipients all the rights that
658you have. You must make sure that they, too, receive or can get the
659source code. And you must show them these terms so they know their
660rights.
661
662 We protect your rights with two steps: (1) copyright the software, and
663(2) offer you this license which gives you legal permission to copy,
664distribute and/or modify the software.
665
666 Also, for each author's protection and ours, we want to make certain
667that everyone understands that there is no warranty for this free
668software. If the software is modified by someone else and passed on, we
669want its recipients to know that what they have is not the original, so
670that any problems introduced by others will not reflect on the original
671authors' reputations.
672
673 Finally, any free program is threatened constantly by software
674patents. We wish to avoid the danger that redistributors of a free
675program will individually obtain patent licenses, in effect making the
676program proprietary. To prevent this, we have made it clear that any
677patent must be licensed for everyone's free use or not licensed at all.
678
679 The precise terms and conditions for copying, distribution and
680modification follow.
681
682
683 GNU GENERAL PUBLIC LICENSE
684 TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION
685
686 0. This License applies to any program or other work which contains
687a notice placed by the copyright holder saying it may be distributed
688under the terms of this General Public License. The "Program", below,
689refers to any such program or work, and a "work based on the Program"
690means either the Program or any derivative work under copyright law:
691that is to say, a work containing the Program or a portion of it,
692either verbatim or with modifications and/or translated into another
693language. (Hereinafter, translation is included without limitation in
694the term "modification".) Each licensee is addressed as "you".
695
696Activities other than copying, distribution and modification are not
697covered by this License; they are outside its scope. The act of
698running the Program is not restricted, and the output from the Program
699is covered only if its contents constitute a work based on the
700Program (independent of having been made by running the Program).
701Whether that is true depends on what the Program does.
702
703 1. You may copy and distribute verbatim copies of the Program's
704source code as you receive it, in any medium, provided that you
705conspicuously and appropriately publish on each copy an appropriate
706copyright notice and disclaimer of warranty; keep intact all the
707notices that refer to this License and to the absence of any warranty;
708and give any other recipients of the Program a copy of this License
709along with the Program.
710
711You may charge a fee for the physical act of transferring a copy, and
712you may at your option offer warranty protection in exchange for a fee.
713
714 2. You may modify your copy or copies of the Program or any portion
715of it, thus forming a work based on the Program, and copy and
716distribute such modifications or work under the terms of Section 1
717above, provided that you also meet all of these conditions:
718
719 a) You must cause the modified files to carry prominent notices
720 stating that you changed the files and the date of any change.
721
722 b) You must cause any work that you distribute or publish, that in
723 whole or in part contains or is derived from the Program or any
724 part thereof, to be licensed as a whole at no charge to all third
725 parties under the terms of this License.
726
727 c) If the modified program normally reads commands interactively
728 when run, you must cause it, when started running for such
729 interactive use in the most ordinary way, to print or display an
730 announcement including an appropriate copyright notice and a
731 notice that there is no warranty (or else, saying that you provide
732 a warranty) and that users may redistribute the program under
733 these conditions, and telling the user how to view a copy of this
734 License. (Exception: if the Program itself is interactive but
735 does not normally print such an announcement, your work based on
736 the Program is not required to print an announcement.)
737
738
739These requirements apply to the modified work as a whole. If
740identifiable sections of that work are not derived from the Program,
741and can be reasonably considered independent and separate works in
742themselves, then this License, and its terms, do not apply to those
743sections when you distribute them as separate works. But when you
744distribute the same sections as part of a whole which is a work based
745on the Program, the distribution of the whole must be on the terms of
746this License, whose permissions for other licensees extend to the
747entire whole, and thus to each and every part regardless of who wrote it.
748
749Thus, it is not the intent of this section to claim rights or contest
750your rights to work written entirely by you; rather, the intent is to
751exercise the right to control the distribution of derivative or
752collective works based on the Program.
753
754In addition, mere aggregation of another work not based on the Program
755with the Program (or with a work based on the Program) on a volume of
756a storage or distribution medium does not bring the other work under
757the scope of this License.
758
759 3. You may copy and distribute the Program (or a work based on it,
760under Section 2) in object code or executable form under the terms of
761Sections 1 and 2 above provided that you also do one of the following:
762
763 a) Accompany it with the complete corresponding machine-readable
764 source code, which must be distributed under the terms of Sections
765 1 and 2 above on a medium customarily used for software interchange; or,
766
767 b) Accompany it with a written offer, valid for at least three
768 years, to give any third party, for a charge no more than your
769 cost of physically performing source distribution, a complete
770 machine-readable copy of the corresponding source code, to be
771 distributed under the terms of Sections 1 and 2 above on a medium
772 customarily used for software interchange; or,
773
774 c) Accompany it with the information you received as to the offer
775 to distribute corresponding source code. (This alternative is
776 allowed only for noncommercial distribution and only if you
777 received the program in object code or executable form with such
778 an offer, in accord with Subsection b above.)
779
780The source code for a work means the preferred form of the work for
781making modifications to it. For an executable work, complete source
782code means all the source code for all modules it contains, plus any
783associated interface definition files, plus the scripts used to
784control compilation and installation of the executable. However, as a
785special exception, the source code distributed need not include
786anything that is normally distributed (in either source or binary
787form) with the major components (compiler, kernel, and so on) of the
788operating system on which the executable runs, unless that component
789itself accompanies the executable.
790
791If distribution of executable or object code is made by offering
792access to copy from a designated place, then offering equivalent
793access to copy the source code from the same place counts as
794distribution of the source code, even though third parties are not
795compelled to copy the source along with the object code.
796
797
798 4. You may not copy, modify, sublicense, or distribute the Program
799except as expressly provided under this License. Any attempt
800otherwise to copy, modify, sublicense or distribute the Program is
801void, and will automatically terminate your rights under this License.
802However, parties who have received copies, or rights, from you under
803this License will not have their licenses terminated so long as such
804parties remain in full compliance.
805
806 5. You are not required to accept this License, since you have not
807signed it. However, nothing else grants you permission to modify or
808distribute the Program or its derivative works. These actions are
809prohibited by law if you do not accept this License. Therefore, by
810modifying or distributing the Program (or any work based on the
811Program), you indicate your acceptance of this License to do so, and
812all its terms and conditions for copying, distributing or modifying
813the Program or works based on it.
814
815 6. Each time you redistribute the Program (or any work based on the
816Program), the recipient automatically receives a license from the
817original licensor to copy, distribute or modify the Program subject to
818these terms and conditions. You may not impose any further
819restrictions on the recipients' exercise of the rights granted herein.
820You are not responsible for enforcing compliance by third parties to
821this License.
822
823 7. If, as a consequence of a court judgment or allegation of patent
824infringement or for any other reason (not limited to patent issues),
825conditions are imposed on you (whether by court order, agreement or
826otherwise) that contradict the conditions of this License, they do not
827excuse you from the conditions of this License. If you cannot
828distribute so as to satisfy simultaneously your obligations under this
829License and any other pertinent obligations, then as a consequence you
830may not distribute the Program at all. For example, if a patent
831license would not permit royalty-free redistribution of the Program by
832all those who receive copies directly or indirectly through you, then
833the only way you could satisfy both it and this License would be to
834refrain entirely from distribution of the Program.
835
836If any portion of this section is held invalid or unenforceable under
837any particular circumstance, the balance of the section is intended to
838apply and the section as a whole is intended to apply in other
839circumstances.
840
841It is not the purpose of this section to induce you to infringe any
842patents or other property right claims or to contest validity of any
843such claims; this section has the sole purpose of protecting the
844integrity of the free software distribution system, which is
845implemented by public license practices. Many people have made
846generous contributions to the wide range of software distributed
847through that system in reliance on consistent application of that
848system; it is up to the author/donor to decide if he or she is willing
849to distribute software through any other system and a licensee cannot
850impose that choice.
851
852This section is intended to make thoroughly clear what is believed to
853be a consequence of the rest of this License.
854
855
856 8. If the distribution and/or use of the Program is restricted in
857certain countries either by patents or by copyrighted interfaces, the
858original copyright holder who places the Program under this License
859may add an explicit geographical distribution limitation excluding
860those countries, so that distribution is permitted only in or among
861countries not thus excluded. In such case, this License incorporates
862the limitation as if written in the body of this License.
863
864 9. The Free Software Foundation may publish revised and/or new versions
865of the General Public License from time to time. Such new versions will
866be similar in spirit to the present version, but may differ in detail to
867address new problems or concerns.
868
869Each version is given a distinguishing version number. If the Program
870specifies a version number of this License which applies to it and "any
871later version", you have the option of following the terms and conditions
872either of that version or of any later version published by the Free
873Software Foundation. If the Program does not specify a version number of
874this License, you may choose any version ever published by the Free Software
875Foundation.
876
877 10. If you wish to incorporate parts of the Program into other free
878programs whose distribution conditions are different, write to the author
879to ask for permission. For software which is copyrighted by the Free
880Software Foundation, write to the Free Software Foundation; we sometimes
881make exceptions for this. Our decision will be guided by the two goals
882of preserving the free status of all derivatives of our free software and
883of promoting the sharing and reuse of software generally.
884
885 NO WARRANTY
886
887 11. BECAUSE THE PROGRAM IS LICENSED FREE OF CHARGE, THERE IS NO WARRANTY
888FOR THE PROGRAM, TO THE EXTENT PERMITTED BY APPLICABLE LAW. EXCEPT WHEN
889OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES
890PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED
891OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF
892MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS
893TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE
894PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING,
895REPAIR OR CORRECTION.
896
897 12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING
898WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR
899REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES,
900INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING
901OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED
902TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY
903YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER
904PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE
905POSSIBILITY OF SUCH DAMAGES.
906
907 END OF TERMS AND CONDITIONS
908
909
910 How to Apply These Terms to Your New Programs
911>>>>>>> FETCH_HEAD
912
913 If you develop a new program, and you want it to be of the greatest
914possible use to the public, the best way to achieve this is to make it
915free software which everyone can redistribute and change under these terms.
916
917 To do so, attach the following notices to the program. It is safest
918to attach them to the start of each source file to most effectively
919<<<<<<< HEAD
920state the exclusion of warranty; and each file should have at least
921=======
922convey the exclusion of warranty; and each file should have at least
923>>>>>>> FETCH_HEAD
924the "copyright" line and a pointer to where the full notice is found.
925
926 <one line to give the program's name and a brief idea of what it does.>
927 Copyright (C) <year> <name of author>
928
929<<<<<<< HEAD
930 This program is free software: you can redistribute it and/or modify
931 it under the terms of the GNU General Public License as published by
932 the Free Software Foundation, either version 3 of the License, or
933=======
934 This program is free software; you can redistribute it and/or modify
935 it under the terms of the GNU General Public License as published by
936 the Free Software Foundation; either version 2 of the License, or
937>>>>>>> FETCH_HEAD
938 (at your option) any later version.
939
940 This program is distributed in the hope that it will be useful,
941 but WITHOUT ANY WARRANTY; without even the implied warranty of
942 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
943 GNU General Public License for more details.
944
945 You should have received a copy of the GNU General Public License
946<<<<<<< HEAD
947 along with this program. If not, see <http://www.gnu.org/licenses/>.
948
949Also add information on how to contact you by electronic and paper mail.
950
951 If the program does terminal interaction, make it output a short
952notice like this when it starts in an interactive mode:
953
954 <program> Copyright (C) <year> <name of author>
955 This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
956=======
957 along with this program; if not, write to the Free Software
958 Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
959
960
961Also add information on how to contact you by electronic and paper mail.
962
963If the program is interactive, make it output a short notice like this
964when it starts in an interactive mode:
965
966 Gnomovision version 69, Copyright (C) year name of author
967 Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
968>>>>>>> FETCH_HEAD
969 This is free software, and you are welcome to redistribute it
970 under certain conditions; type `show c' for details.
971
972The hypothetical commands `show w' and `show c' should show the appropriate
973<<<<<<< HEAD
974parts of the General Public License. Of course, your program's commands
975might be different; for a GUI interface, you would use an "about box".
976
977 You should also get your employer (if you work as a programmer) or school,
978if any, to sign a "copyright disclaimer" for the program, if necessary.
979For more information on this, and how to apply and follow the GNU GPL, see
980<http://www.gnu.org/licenses/>.
981
982 The GNU General Public License does not permit incorporating your program
983into proprietary programs. If your program is a subroutine library, you
984may consider it more useful to permit linking proprietary applications with
985the library. If this is what you want to do, use the GNU Lesser General
986Public License instead of this License. But first, please read
987<http://www.gnu.org/philosophy/why-not-lgpl.html>.
988=======
989parts of the General Public License. Of course, the commands you use may
990be called something other than `show w' and `show c'; they could even be
991mouse-clicks or menu items--whatever suits your program.
992
993You should also get your employer (if you work as a programmer) or your
994school, if any, to sign a "copyright disclaimer" for the program, if
995necessary. Here is a sample; alter the names:
996
997 Yoyodyne, Inc., hereby disclaims all copyright interest in the program
998 `Gnomovision' (which makes passes at compilers) written by James Hacker.
999
1000 <signature of Ty Coon>, 1 April 1989
1001 Ty Coon, President of Vice
1002
1003This General Public License does not permit incorporating your program into
1004proprietary programs. If your program is a subroutine library, you may
1005consider it more useful to permit linking proprietary applications with the
1006library. If this is what you want to do, use the GNU Library General
1007Public License instead of this License.
1008>>>>>>> FETCH_HEAD
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