https://sourceforge.net/p/objcryst/activity/Recent activity for Free Objects for CrystallographyenThu, 12 Sep 2024 17:56:02 -0000https://sourceforge.net/projects/objcryst/files/v2024.1/README.md/downloadFree Objects for CrystallographyThu, 12 Sep 2024 17:56:02 -0000https://sourceforge.net/projects/objcryst/files/v2024.1/README.md/downloadhttps://sourceforge.net/p/objcryst/files/Vincent Favre-NicolinThu, 12 Sep 2024 17:55:11 -0000https://sourceforge.net/p/objcryst/files/https://sourceforge.net/projects/objcryst/files/v2024.1/Fox-2024-08-31.tar.bz2/downloadFree Objects for CrystallographyThu, 12 Sep 2024 17:55:04 -0000https://sourceforge.net/projects/objcryst/files/v2024.1/Fox-2024-08-31.tar.bz2/downloadhttps://sourceforge.net/projects/objcryst/files/v2024.1/Fox%202024.1%20source%20code.zip/downloadFree Objects for CrystallographyThu, 12 Sep 2024 17:55:04 -0000https://sourceforge.net/projects/objcryst/files/v2024.1/Fox 2024.1 source code.zip/downloadhttps://sourceforge.net/projects/objcryst/files/v2024.1/Fox%202024.1%20source%20code.tar.gz/downloadFree Objects for CrystallographyThu, 12 Sep 2024 17:55:04 -0000https://sourceforge.net/projects/objcryst/files/v2024.1/Fox 2024.1 source code.tar.gz/downloadhttps://sourceforge.net/projects/objcryst/files/v2024.1/cctbx.tar.bz2/downloadFree Objects for CrystallographyThu, 12 Sep 2024 17:55:04 -0000https://sourceforge.net/projects/objcryst/files/v2024.1/cctbx.tar.bz2/downloadhttps://sourceforge.net/projects/objcryst/files/v2024.1/Fox-2024-08-30.zip/downloadFree Objects for CrystallographyThu, 12 Sep 2024 17:55:04 -0000https://sourceforge.net/projects/objcryst/files/v2024.1/Fox-2024-08-30.zip/downloadhttps://sourceforge.net/projects/objcryst/files/v2024.1/Fox-2024-08-28.dmg/downloadFree Objects for CrystallographyThu, 12 Sep 2024 17:55:04 -0000https://sourceforge.net/projects/objcryst/files/v2024.1/Fox-2024-08-28.dmg/downloadhttps://sourceforge.net/p/objcryst/git/ci/d5e3585f5a6fa62742d4d8518073e22a2be00746/SpaceGroupExplorer: allow keeping or not the tested spacegroup, or the best solutionVincent Favre-NicolinSun, 22 Nov 2020 10:47:24 -0000https://sourceforge.net/p/objcryst/git/ci/d5e3585f5a6fa62742d4d8518073e22a2be00746/https://sourceforge.net/p/objcryst/git/ci/202bdf1353fa74f16606196490c626f14b847f33/Add Crystal.GetFormula(). Fix same function in Molecule to use symbol and not ScatteringPower name for sorting. Use formula to automatically name Crystal and DiffractionDataSingleCrystal when imported from CIF and no name is given.Vincent Favre-NicolinSun, 22 Nov 2020 10:47:24 -0000https://sourceforge.net/p/objcryst/git/ci/202bdf1353fa74f16606196490c626f14b847f33/https://sourceforge.net/p/objcryst/git/ci/f5b21f249af27271558d07bedf68b887c793d0b8/Merge commit 'cd31ce604a7b38ce27a2dd748b0003b03255e909'Vincent Favre-NicolinSun, 22 Nov 2020 10:47:24 -0000https://sourceforge.net/p/objcryst/git/ci/f5b21f249af27271558d07bedf68b887c793d0b8/https://sourceforge.net/p/objcryst/git/ci/cd31ce604a7b38ce27a2dd748b0003b03255e909/FOXGridJan RohlicekFri, 20 Nov 2020 21:31:02 -0000https://sourceforge.net/p/objcryst/git/ci/cd31ce604a7b38ce27a2dd748b0003b03255e909/https://sourceforge.net/p/objcryst/git/ci/76eb7dd1d1cb94bab7238b71be8644ae3e4b8362/FOXGrid changes - the final?Jan RohlicekMon, 16 Nov 2020 19:50:03 -0000https://sourceforge.net/p/objcryst/git/ci/76eb7dd1d1cb94bab7238b71be8644ae3e4b8362/https://sourceforge.net/p/objcryst/git/ci/dac0cb0a5b494baccbfbb62d37931d6b0a2de49f/Minor changes of FOXGridJan RohlicekSun, 15 Nov 2020 01:20:26 -0000https://sourceforge.net/p/objcryst/git/ci/dac0cb0a5b494baccbfbb62d37931d6b0a2de49f/https://sourceforge.net/p/objcryst/git/ci/858f8efb469d1697512e9bbe8b2fd294752668ec/FoxGridJan RohlicekSun, 15 Nov 2020 01:20:26 -0000https://sourceforge.net/p/objcryst/git/ci/858f8efb469d1697512e9bbe8b2fd294752668ec/https://sourceforge.net/p/objcryst/git/ci/c977a67fb826f7a35340ea8d85590236fb1637a0/FoxGrid repaired - communication is stable even in the case of high traffic.Jan RohlicekTue, 10 Nov 2020 23:42:18 -0000https://sourceforge.net/p/objcryst/git/ci/c977a67fb826f7a35340ea8d85590236fb1637a0/https://sourceforge.net/p/objcryst/git/ci/5ae17765345d3b4a242909f85d4ae21b5ed1619e/Merge pull request #43 from pavoljuhas/fix-spacegroup-recursionGitHubSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/5ae17765345d3b4a242909f85d4ae21b5ed1619e/https://sourceforge.net/p/objcryst/git/ci/60d35af8d4cfc136c743462d607c6e170de5d091/MonteCarloObj: add public access to AutoLSQ optionVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/60d35af8d4cfc136c743462d607c6e170de5d091/https://sourceforge.net/p/objcryst/git/ci/3693c51c828f8d2f9fe33fa6d6856b98174870a7/Better format for ObjRegistry::Print()Vincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/3693c51c828f8d2f9fe33fa6d6856b98174870a7/https://sourceforge.net/p/objcryst/git/ci/19a7a1d38545badefd9a845a2a0c022debce74ce/Avoid access to mpScattPow for dummy atomVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/19a7a1d38545badefd9a845a2a0c022debce74ce/https://sourceforge.net/p/objcryst/git/ci/86e365a02b817ce777346cb00bab6a6d06c5e50e/Rename SpacegroupExplorer to SpaceGroupExplorer for consistencyVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/86e365a02b817ce777346cb00bab6a6d06c5e50e/https://sourceforge.net/p/objcryst/git/ci/02c70285c7ee8f45f1b0946f9edaa586c7f57196/Minor changes to be in sync with https://github.com/diffpy/libobjcrystVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/02c70285c7ee8f45f1b0946f9edaa586c7f57196/https://sourceforge.net/p/objcryst/git/ci/1dadd873d8c528bacad6ebc7c336b373ce406beb/Raise ObjCrystException when InitSpaceGroup failsPavol JuhasSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/1dadd873d8c528bacad6ebc7c336b373ce406beb/https://sourceforge.net/p/objcryst/git/ci/a38c06e0efe8eda306e201decb295062d8748b7f/BUG: skip exception when checking SpaceGroup originsPavol JuhasSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/a38c06e0efe8eda306e201decb295062d8748b7f/https://sourceforge.net/p/objcryst/git/ci/5e73d32d70e12a78f2fe6e81f5609747e6059151/Merge pull request #41 from pavoljuhas/fix-debug-message-typoGitHubSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/5e73d32d70e12a78f2fe6e81f5609747e6059151/https://sourceforge.net/p/objcryst/git/ci/7aedb010a2f8d7e3bc92bb54e92a77478e3c1051/Radiation: fix automatic setting of options and used parametersVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/7aedb010a2f8d7e3bc92bb54e92a77478e3c1051/https://sourceforge.net/p/objcryst/git/ci/9a18bbd8ec7ef64834444289c192dacbca189f9a/Raise invalid_argument when InitSpaceGroup failsPavol JuhasSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/9a18bbd8ec7ef64834444289c192dacbca189f9a/https://sourceforge.net/p/objcryst/git/ci/450ed740ab31dbbf83ede4f161aed619225ffc96/Fix misleading debug messagePavol JuhasSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/450ed740ab31dbbf83ede4f161aed619225ffc96/https://sourceforge.net/p/objcryst/git/ci/5f0f3b0df5a79cc8167913383c78cd7c4ad3c446/Add access to Options in OptimizationObj, by number or name. Also provide access by name in RefinableObjVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/5f0f3b0df5a79cc8167913383c78cd7c4ad3c446/https://sourceforge.net/p/objcryst/git/ci/e7c354aab88ba955e3e1c6ec05343a81a735559d/Merge pull request #44 from pavoljuhas/fix-sg-name-checkGitHubSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/e7c354aab88ba955e3e1c6ec05343a81a735559d/https://sourceforge.net/p/objcryst/git/ci/82711bea924531a647a13f9e5840495abf606856/Avoid uncaught exception when checking SG namesPavol JuhasSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/82711bea924531a647a13f9e5840495abf606856/https://sourceforge.net/p/objcryst/git/ci/f263a15004992606f253044285a88488704c9181/Move Spacegroup explorer in a separate class along PowderPattern, for non-GUI accessVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/f263a15004992606f253044285a88488704c9181/https://sourceforge.net/p/objcryst/git/ci/bf775d1d91558b1232146aaa867daa1930e705ad/Update Xcode project (with Xcode 9.2). Deployment target is now MacOS 10.9Vincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/bf775d1d91558b1232146aaa867daa1930e705ad/https://sourceforge.net/p/objcryst/git/ci/f57a4ed997386de55946a697e30bcb917b4ac610/Fix infinite recursion in SpaceGroup("bad")Pavol JuhasSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/f57a4ed997386de55946a697e30bcb917b4ac610/https://sourceforge.net/p/objcryst/git/ci/5f6e34f56627e4574b30db00b4ab32a6b8439ca5/Merge pull request #42 from pavoljuhas/fix-spacegroup-recursionGitHubSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/5f6e34f56627e4574b30db00b4ab32a6b8439ca5/https://sourceforge.net/p/objcryst/git/ci/625171646f4ad13272e17a7157b431bd4395d9a6/Correct EstimateCellVolume estimation for orthorombic FVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/625171646f4ad13272e17a7157b431bd4395d9a6/https://sourceforge.net/p/objcryst/git/ci/c83d90c5d8de8e584a49bb2e6ce7ff2b029c8fe2/Add STL-type methods (begin, end, size) for ObjRegistry and Molecule objectsVincent Favre-NicolinSun, 19 Apr 2020 11:42:32 -0000https://sourceforge.net/p/objcryst/git/ci/c83d90c5d8de8e584a49bb2e6ce7ff2b029c8fe2/https://sourceforge.net/p/objcryst/git/ci/edccfc58c3be367206efbcba929e4a1d96892d2f/Prefer wget to curl. Update wxWidgets to version 3.0.4Vincent Favre-NicolinFri, 19 Oct 2018 17:43:18 -0000https://sourceforge.net/p/objcryst/git/ci/edccfc58c3be367206efbcba929e4a1d96892d2f/https://sourceforge.net/p/objcryst/git/ci/05954fd9c2e0fb80571a3d63fbd7ab8666655ee9/Add -D switch for make installVincent Favre-NicolinFri, 19 Oct 2018 17:43:18 -0000https://sourceforge.net/p/objcryst/git/ci/05954fd9c2e0fb80571a3d63fbd7ab8666655ee9/https://sourceforge.net/p/objcryst/git/ci/5d39b64a641e2707d35ff3d0977b00f5ecf57831/Use DESTDIR for Fox/gnu.makVincent Favre-NicolinThu, 18 Oct 2018 21:18:09 -0000https://sourceforge.net/p/objcryst/git/ci/5d39b64a641e2707d35ff3d0977b00f5ecf57831/https://sourceforge.net/p/objcryst/git/ci/a279c6d6586e4dc9ac658144a54225313cba6902/Update boost to 1.68Vincent Favre-NicolinThu, 18 Oct 2018 20:32:11 -0000https://sourceforge.net/p/objcryst/git/ci/a279c6d6586e4dc9ac658144a54225313cba6902/https://sourceforge.net/p/objcryst/git/ci/4477b420f06e78f9d2959c0587b0c41b2c836704/Remove redundant diagnostic outputPavol JuhasThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/4477b420f06e78f9d2959c0587b0c41b2c836704/https://sourceforge.net/p/objcryst/git/ci/65ab262c33f7528f26f6dac1ff1a1103e7b2099d/Fix leak in CrystVector reported by valgrindPavol JuhasThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/65ab262c33f7528f26f6dac1ff1a1103e7b2099d/https://sourceforge.net/p/objcryst/git/ci/54ef6411bc3ea75c47db0f98d3edbebe9b31427a/Make test for wx compilation more generic (works with gtk2 and 3)UbuntuThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/54ef6411bc3ea75c47db0f98d3edbebe9b31427a/https://sourceforge.net/p/objcryst/git/ci/204a21ef37ff40d8c3e70a6729a5b5fcda81f71f/Correct src/FoxServerThread.cpp exit codeUbuntuThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/204a21ef37ff40d8c3e70a6729a5b5fcda81f71f/https://sourceforge.net/p/objcryst/git/ci/433a0bb01697e833ebe376b9fdcc40648fac10e1/Merge pull request #34 from pavoljuhas/remove-redundant-outputGitHubThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/433a0bb01697e833ebe376b9fdcc40648fac10e1/https://sourceforge.net/p/objcryst/git/ci/928af345f87a8f0c395b70eca82ebacf20a64b7d/Exclude *.h files from linkingUbuntuThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/928af345f87a8f0c395b70eca82ebacf20a64b7d/https://sourceforge.net/p/objcryst/git/ci/e9304b13f68c8a55b4a6a049125f6422a39ccead/BUG: avoid crash on empty vector argumentPavol JuhasThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/e9304b13f68c8a55b4a6a049125f6422a39ccead/https://sourceforge.net/p/objcryst/git/ci/9d783f93f231c3f0a131be80c4ce27c0abc6cf83/Fix doubled SpaceGroup::GetInversionCenterPavol JuhasThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/9d783f93f231c3f0a131be80c4ce27c0abc6cf83/https://sourceforge.net/p/objcryst/git/ci/10d5f77e344166ca4710d7bda5316f17714cfde3/Merge pull request #33 from pavoljuhas/allow-empty-vector-in-setpowderpatternxGitHubThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/10d5f77e344166ca4710d7bda5316f17714cfde3/https://sourceforge.net/p/objcryst/git/ci/a2ee7db6214fc2ed218c8d3374c833514e029f40/Merge pull request #39 from pavoljuhas/fix-doubled-inversion-centerGitHubThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/a2ee7db6214fc2ed218c8d3374c833514e029f40/https://sourceforge.net/p/objcryst/git/ci/6ed9aff18387fa64de284551fa7328e76e41f615/Update to boost_1_68_0UbuntuThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/6ed9aff18387fa64de284551fa7328e76e41f615/https://sourceforge.net/p/objcryst/git/ci/a06411dea1e907f25dc59208f247a2a3b3ef106a/Merge pull request #38 from pavoljuhas/fix-crystalvector-leakGitHubThu, 18 Oct 2018 20:06:34 -0000https://sourceforge.net/p/objcryst/git/ci/a06411dea1e907f25dc59208f247a2a3b3ef106a/https://sourceforge.net/p/objcryst/git/ci/63062114946a8eb0ccc937226e98e81f48c50df0/Add shortcut to toggle blac or white background in 3D crystal viewVincent FAVRE-NICOLINSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/63062114946a8eb0ccc937226e98e81f48c50df0/https://sourceforge.net/p/objcryst/git/ci/01f120896cdeac732d56b9f2975cd190c61b817f/Update Changelog for 2017.2Vincent Favre-NicolinSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/01f120896cdeac732d56b9f2975cd190c61b817f/https://sourceforge.net/p/objcryst/git/ci/47b7e19d925701cee47fc38011b1a0ef4ec44c8d/Molecule: avoid infinite loop between RandomizeConfiguration() and TuneGlobalOptimRotationAmplitude() by adding a new master clock parent of all restraints and atom listVincent Favre-NicolinSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/47b7e19d925701cee47fc38011b1a0ef4ec44c8d/https://sourceforge.net/p/objcryst/git/ci/ef8ca9427c32a2cd40410a94e3d834586a74ce31/Merge pull request #31 from pavoljuhas/remove-gl-declarations-when-undefinedGitHubSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/ef8ca9427c32a2cd40410a94e3d834586a74ce31/https://sourceforge.net/p/objcryst/git/ci/b0880f363656b2617da2037d90ac812bfe29cec1/Merge pull request #29 from pavoljuhas/fix-warnings-from-g++-7.2GitHubSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/b0880f363656b2617da2037d90ac812bfe29cec1/https://sourceforge.net/p/objcryst/git/ci/9a3768e4b4d7a206b0b0cbe7d6f694d9b4f9c713/Only skip keyboard event if not interpretedVincent FAVRE-NICOLINSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/9a3768e4b4d7a206b0b0cbe7d6f694d9b4f9c713/https://sourceforge.net/p/objcryst/git/ci/70b3c78cba956d1a223140ed473e48c99f8c79fe/Add wxTextValidator(wxFILTER_NUMERIC) for bond length of polyhedra, contour levels of Fourier mapsVincent FAVRE-NICOLINSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/70b3c78cba956d1a223140ed473e48c99f8c79fe/https://sourceforge.net/p/objcryst/git/ci/c2a3a48f897b9f529094f576584b1305d1b25bff/Merge branch 'master' of github.com:vincefn/objcrystVincent FAVRE-NICOLINSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/c2a3a48f897b9f529094f576584b1305d1b25bff/https://sourceforge.net/p/objcryst/git/ci/f88504d6f15adcbff18b995340e59b199395942b/Remove GL functions when OBJCRYST_GL is undefined.Pavol JuhasSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/f88504d6f15adcbff18b995340e59b199395942b/https://sourceforge.net/p/objcryst/git/ci/601b85a92d41d82cbee30c6face82b8e175809ce/MAINT: remove deprecated keyword `register`.Pavol JuhasSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/601b85a92d41d82cbee30c6face82b8e175809ce/https://sourceforge.net/p/objcryst/git/ci/dca6623c3f0b9dfa04333fe4647f55c7aaa0bb05/Disable COD for FOX-nogui target. Remove unused __FOXVERSION__.Vincent FAVRE-NICOLINSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/dca6623c3f0b9dfa04333fe4647f55c7aaa0bb05/https://sourceforge.net/p/objcryst/git/ci/4659c55093b8d5b84b66608663ad94b83e011cbf/BUG: fix missing braces in `for` block.Pavol JuhasSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/4659c55093b8d5b84b66608663ad94b83e011cbf/https://sourceforge.net/p/objcryst/git/ci/3ec8cf553fb6b242ab4e9af1cfa7556e1f29d092/Molecule BuildRingList(): handle case when an atom is not connected to any other, e.g. when there is a single Atom in the MoleculeVincent Favre-NicolinSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/3ec8cf553fb6b242ab4e9af1cfa7556e1f29d092/https://sourceforge.net/p/objcryst/git/ci/55cd9127632b17100398f670fd59e5825c8d7060/Re-enable limits popup menu in refinable parameters (windows specific issue). Fixes #19Vincent Favre-NicolinSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/55cd9127632b17100398f670fd59e5825c8d7060/https://sourceforge.net/p/objcryst/git/ci/a7fc0a74e5c78440578894a9f9f9ea6d253ebf0b/Merge branch 'master' of github.com:vincefn/objcrystVincent Favre-NicolinSat, 03 Feb 2018 13:52:08 -0000https://sourceforge.net/p/objcryst/git/ci/a7fc0a74e5c78440578894a9f9f9ea6d253ebf0b/https://sourceforge.net/p/objcryst/git/ci/65fc04c46bd5db149e3e48d13e71e892a92f6794/Report number of spurious lines in indexing solutionsVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/65fc04c46bd5db149e3e48d13e71e892a92f6794/https://sourceforge.net/p/objcryst/git/ci/d2e7b3ce083f0c923d20d8d1f7f650e480f5bcf2/Merge pull request #13 from pavoljuhas/fix-vector-typeGitHubWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/d2e7b3ce083f0c923d20d8d1f7f650e480f5bcf2/https://sourceforge.net/p/objcryst/git/ci/c9756405ff378dd98e2799800c841bfe2eb36c14/Merge pull request #14 from pavoljuhas/fix-unused-variablesGitHubWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/c9756405ff378dd98e2799800c841bfe2eb36c14/https://sourceforge.net/p/objcryst/git/ci/5ca200e13bed1e6555dd9994aadea612ea286e36/Update changelogVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/5ca200e13bed1e6555dd9994aadea612ea286e36/https://sourceforge.net/p/objcryst/git/ci/d9ea63f2168e39cf66e8f55a1fbc9d5d390ceea5/Use C locale for tracker data outputVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/d9ea63f2168e39cf66e8f55a1fbc9d5d390ceea5/https://sourceforge.net/p/objcryst/git/ci/4403728c3d204fe649dd7272712fbc8bf716bd49/Add LSQNumObj::SafeRefine() to automatically revert to previous parameters if refinement does not converge, and optionally fix the newly unfixed parameters.Vincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/4403728c3d204fe649dd7272712fbc8bf716bd49/https://sourceforge.net/p/objcryst/git/ci/5fb11b6611e1c2dfe231fd44429184385b207449/Update messages when closing Fox with a grid client or server runningVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/5fb11b6611e1c2dfe231fd44429184385b207449/https://sourceforge.net/p/objcryst/git/ci/6bda805b30bc362a4fe5aac6f12b3b8749cb62e3/Use wxSOCKET_REUSEADDR for Fox grid wxSocketServer.Vincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/6bda805b30bc362a4fe5aac6f12b3b8749cb62e3/https://sourceforge.net/p/objcryst/git/ci/7ed049d18f62d9a99c55daea2bf83b7cc375f554/Set the PowderPatternBackgroundBayesianMinimiser::LSQObs() values to 1 instead of 0 to avoid NaN values for R and Rw in LSQNumObjVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/7ed049d18f62d9a99c55daea2bf83b7cc375f554/https://sourceforge.net/p/objcryst/git/ci/926923d01d0923cad14ddc1f4501107a96c460bb/Correctly evaluate starting Chi^2 in SafeRefine()Vincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/926923d01d0923cad14ddc1f4501107a96c460bb/https://sourceforge.net/p/objcryst/git/ci/a3cdfb3734d20538034d14886b69c74344e827fa/Use C locale for file outputVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/a3cdfb3734d20538034d14886b69c74344e827fa/https://sourceforge.net/p/objcryst/git/ci/7cdaa12f5668a8ac5832b56f27d3713150c33d80/Merge pull request #12 from pavoljuhas/fix-compiler-warningsGitHubWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/7cdaa12f5668a8ac5832b56f27d3713150c33d80/https://sourceforge.net/p/objcryst/git/ci/fd7a27d19cb5c874c576493fc77b196145796e6e/Allow forcing the display of molecules which are centered inside display limits. Add keyboard shortcuts to the 3D crystal view: L (toggle atom labels), M (toggle display full molecule), Y (toggle hydrogens). Fixes #20Vincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/fd7a27d19cb5c874c576493fc77b196145796e6e/https://sourceforge.net/p/objcryst/git/ci/29ba3111375ab9c86c75d822daab1f1a2a218b36/in 3D Crystal view: add shortcuts to shift display area, fade distance, choose asymmetric unit or full unit cell, and add help text.Vincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/29ba3111375ab9c86c75d822daab1f1a2a218b36/https://sourceforge.net/p/objcryst/git/ci/6041094b5ec18c4eb34ca329b430e9470312d020/Default: don’t show help in Crystal 3D displayVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/6041094b5ec18c4eb34ca329b430e9470312d020/https://sourceforge.net/p/objcryst/git/ci/ad6b913b06218425b4d185c789a5d1ee313c734a/Handle monoclinic I and A when selecting indexation solutionVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/ad6b913b06218425b4d185c789a5d1ee313c734a/https://sourceforge.net/p/objcryst/git/ci/7cab9792230d43cfe065507b8d05183b58a090df/Merge pull request #16 from pavoljuhas/fix-missing-headerGitHubWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/7cab9792230d43cfe065507b8d05183b58a090df/https://sourceforge.net/p/objcryst/git/ci/c7e08fe9006eef2488403c27849e0a07715e432a/STY: avoid space before tab in indent.Pavol JuhasWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/c7e08fe9006eef2488403c27849e0a07715e432a/https://sourceforge.net/p/objcryst/git/ci/cd71ac6b2eccf267f7acbc4d09830994319f9d93/Add space group to crystal name in 3D window titleVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/cd71ac6b2eccf267f7acbc4d09830994319f9d93/https://sourceforge.net/p/objcryst/git/ci/beef1e131b491fa545929052d3f01c4728a60528/Add CalcRfactor, CalcRwfactor and CalcChiSquare functions to LSQNumObjVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/beef1e131b491fa545929052d3f01c4728a60528/https://sourceforge.net/p/objcryst/git/ci/16c9ae84ca9922c3e909ebb257faa2e2a248091a/STY: Convert to UNIX line ends.Pavol JuhasWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/16c9ae84ca9922c3e909ebb257faa2e2a248091a/https://sourceforge.net/p/objcryst/git/ci/450a9c5143b06c09612786532bb6eddb2ee9cd14/MAINT: remove or comment out unused variables.Pavol JuhasWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/450a9c5143b06c09612786532bb6eddb2ee9cd14/https://sourceforge.net/p/objcryst/git/ci/579f30a23e3ec03e3cedfc6e7165bc2db017441d/Use SafeRefine when performing automatic Le Bail & profile fitting in the unit cell explorer. Also avoid worse results when retrying Le Bail fit at the end.Vincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/579f30a23e3ec03e3cedfc6e7165bc2db017441d/https://sourceforge.net/p/objcryst/git/ci/9ad7cac86cc638ffdcf9f68b187cadc12be13378/Add calculation of the net number of observed points during profile fitting, by deducing the number of independent reflections. Use for the space group explorerVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/9ad7cac86cc638ffdcf9f68b187cadc12be13378/https://sourceforge.net/p/objcryst/git/ci/8025a519d7672f69076d78124ccd2b709842c48e/Avoid NaN when computing estimated cell volumesVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/8025a519d7672f69076d78124ccd2b709842c48e/https://sourceforge.net/p/objcryst/git/ci/c90246687fe6ea7d31aecc79149a83e7d603b4cf/BUG: use predefined floating point type.Pavol JuhasWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/c90246687fe6ea7d31aecc79149a83e7d603b4cf/https://sourceforge.net/p/objcryst/git/ci/71dd3902ce541e73dbf510d0bf6aa57216fde9f4/Use calloc for buffer allocation, independently of the platformVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/71dd3902ce541e73dbf510d0bf6aa57216fde9f4/https://sourceforge.net/p/objcryst/git/ci/c67ebf3f705bbcda64c6742a72a169e5a576da2f/BUG: add missing header boost/format.hpp.Pavol JuhasWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/c67ebf3f705bbcda64c6742a72a169e5a576da2f/https://sourceforge.net/p/objcryst/git/ci/c18cf944d05737c2565f7f2d623ae0720fa4a20b/MAINT: fix comparison of signed/unsigned integers.Pavol JuhasWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/c18cf944d05737c2565f7f2d623ae0720fa4a20b/https://sourceforge.net/p/objcryst/git/ci/5ba1cc6ab62c3cf489211352e830e1eab23e21a2/Make indexing progress dialog modalVincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/5ba1cc6ab62c3cf489211352e830e1eab23e21a2/https://sourceforge.net/p/objcryst/git/ci/eb3d0a759bcde7ea1f3791f95821e293d4eab433/Make sure EndOptimization() is called in LSQNumObj::SafeRefine()Vincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/eb3d0a759bcde7ea1f3791f95821e293d4eab433/https://sourceforge.net/p/objcryst/git/ci/b3ad63ced043070185ef5da8ad579cb171dbc9be/Add ScatteringData::SetFhklObsSq()Vincent Favre-NicolinWed, 28 Jun 2017 10:27:40 -0000https://sourceforge.net/p/objcryst/git/ci/b3ad63ced043070185ef5da8ad579cb171dbc9be/