| Revision: 924 | 2018-06-07 20:01:53 | Windows Build: | |
| Revision: 923 | 2018-06-07 19:42:43 | Mac Build: | |
| Revision: 922 | 2018-06-07 19:37:13 | Linux Build: | + round... |
| Revision: 921 | 2018-06-07 18:02:10 | Windows Build: | |
| Revision: 920 | 2018-06-07 17:49:11 | Mac Build: | |
| Revision: 919 | 2018-06-07 17:43:26 | Linux Build: | + DSR citation updated. + int getFvarCntr(int fvar); + #define round for visual studio 8 |
| Revision: 918 | 2018-05-23 17:09:35 | Windows Build: | |
| Revision: 917 | 2018-05-23 16:58:25 | Mac Build: | |
| Revision: 916 | 2018-05-23 16:53:45 | Linux Build: | +finish shelxl gracefully so that results are in res file |
| Revision: 915 | 2018-05-15 13:50:48 | Windows Build: | |
| Revision: 914 | 2018-05-15 13:09:06 | Mac Build: | |
| Revision: 913 | 2018-05-15 13:02:37 | Linux Build: | +chuebsch: fixed some typos in helper +kratzert: Added ability to change label color in DSRGlWindow +kratzert: updated citation +kratzert: Fixed appearing of previous refinement status in "visualize output" +kratzert: Fixing wrong count of UNIT caused by FVAR count changes in commit 513 |
| Revision: 912 | 2018-04-24 08:16:59 | Windows Build: | |
| Revision: 911 | 2018-04-24 08:06:13 | Mac Build: | |
| Revision: 910 | 2018-04-24 08:01:59 | Linux Build: | +merge with kratzert +define switch for round removed as it makes problems in qt5 |
| Revision: 909 | 2018-04-20 09:34:21 | Windows Build: | |
| Revision: 908 | 2018-04-20 09:21:50 | Mac Build: | |
| Revision: 907 | 2018-04-20 09:17:50 | Linux Build: | fixed a '642' message |
| Revision: 906 | 2018-04-20 08:41:16 | Mac Build: | |
| Revision: 905 | 2018-04-20 08:37:15 | Linux Build: | +recent changes by daniel kratzert +logic of toggle bede lone objects was inverse |
| Revision: 904 | 2018-03-12 17:18:06 | Windows Build: | |
| Revision: 903 | 2018-03-12 17:06:58 | Mac Build: | |
| Revision: 902 | 2018-03-12 17:02:18 | Linux Build: | +External programs: option to copy ins to res (program is a variant of shelxl) |
| Revision: 901 | 2018-02-23 07:29:48 | Linux Build: | +small fix for MS Visual Studio 9.0... |
| Revision: 900 | 2018-02-21 17:27:55 | Windows Build: | |
| Revision: 899 | 2018-02-21 17:12:16 | Mac Build: | |
| Revision: 898 | 2018-02-21 17:04:25 | Linux Build: | +load/save-Orientation(QString fn) +clearLists() to remove loaded structures |
| Revision: 897 | 2018-02-13 14:21:05 | Windows Build: | |
| Revision: 896 | 2018-02-13 14:08:32 | Mac Build: | |
| Revision: 895 | 2018-02-13 14:01:40 | Linux Build: | +merge from daniel... |
| Revision: 894 | 2018-02-06 15:28:46 | Windows Build: | |
| Revision: 893 | 2018-02-06 15:15:49 | Mac Build: | |
| Revision: 892 | 2018-02-06 15:02:17 | Linux Build: | +change element to H -> better position and label for H atoms. |
| Revision: 891 | 2018-01-19 16:20:01 | Windows Build: | |
| Revision: 890 | 2018-01-19 16:05:58 | Mac Build: | |
| Revision: 889 | 2018-01-19 16:01:39 | Linux Build: | + change PART or RESI of selected atoms |
| Revision: 888 | 2018-01-16 14:45:49 | Windows Build: | |
| Revision: 887 | 2018-01-16 14:09:49 | Linux Build: | +fcf6 by hkl option now selaectable in base part of ShelXle (next to 'Calculate Maps') +hklf 3 and scaling and Matrix options work as well +SHEL and OMIT -2 2thetalim |
| Revision: 886 | 2018-01-11 12:49:30 | Windows Build: | -fcf6 now works also on Windows |
| Revision: 885 | 2018-01-11 10:40:05 | Windows Build: | |
| Revision: 884 | 2018-01-11 10:18:47 | Mac Build: | |
| Revision: 883 | 2018-01-11 10:09:12 | Linux Build: | +dk:graphical improvements in dsrgui + test: create own fcf6 file (no LIST 6 required) HKLF 4 required. Start with -fcf6 to test |
| Revision: 882 | 2017-12-13 12:25:04 | Windows Build: | |
| Revision: 881 | 2017-12-13 12:08:27 | Mac Build: | |
| Revision: 880 | 2017-12-13 12:03:22 | Linux Build: | |
| Revision: 879 | 2017-12-12 20:39:59 | Windows Build: | |
| Revision: 878 | 2017-12-12 20:25:56 | Mac Build: | |
| Revision: 877 | 2017-12-12 20:11:54 | Linux Build: | +improved selection behavior on growed q-peaks |
| Revision: 876 | 2017-12-06 15:29:44 | Windows Build: | |
| Revision: 875 | 2017-12-06 15:07:23 | Mac Build: | |
| Revision: 874 | 2017-12-06 15:01:10 | Linux Build: | +daniel introduced a checkbox for overriding an automated -b B-array guess. +fixed crash caused by large R(int) or R(sigma) values |
| Revision: 873 | 2017-11-30 21:29:06 | Windows Build: | |
| Revision: 872 | 2017-11-30 20:38:21 | Mac Build: | |
| Revision: 871 | 2017-11-30 20:33:16 | Linux Build: | +better value for -b array |
| Revision: 870 | 2017-11-19 07:30:06 | Windows Build: | |
| Revision: 869 | 2017-11-19 07:17:46 | Mac Build: | |
| Revision: 868 | 2017-11-19 07:13:07 | Linux Build: | +lableing oh hydrogen atoms was strange +Daniel improved the shx_helper |
| Revision: 867 | 2017-11-06 10:03:22 | Windows Build: | |
| Revision: 866 | 2017-11-06 09:51:03 | Mac Build: | |
| Revision: 865 | 2017-11-06 09:45:52 | Linux Build: | + changes by daniel + thanks to satarsa code compiles also towards QT5 |
| Revision: 864 | 2017-10-23 07:53:24 | Windows Build: | |
| Revision: 863 | 2017-10-23 07:39:03 | Mac Build: | |
| Revision: 862 | 2017-10-23 07:31:39 | Linux Build: | +fix in dsr plugin by daniel |
| Revision: 861 | 2017-08-04 08:51:51 | Windows Build: | |
| Revision: 860 | 2017-08-04 08:41:53 | Mac Build: | now 79 characters per line are the new maximum in shelxl. |
| Revision: 859 | 2017-07-04 17:59:20 | ||
| Revision: 858 | 2017-07-04 17:43:13 | Mac Build: | |
| Revision: 857 | 2017-07-04 13:06:16 | Linux Build: | m=4 |
| Revision: 856 | 2017-07-03 17:55:15 | Windows Build: | |
| Revision: 855 | 2017-07-03 17:41:58 | Mac Build: | |
| Revision: 854 | 2017-07-03 17:37:11 | Linux Build: | some more lone |
| Revision: 853 | 2017-06-21 08:45:45 | Windows Build: | |
| Revision: 852 | 2017-06-21 08:30:04 | Mac Build: | |
| Revision: 851 | 2017-06-21 08:16:37 | Linux Build: | +DK + -voxel 10x10x10 to fix Fourier map dimensions. |
| Revision: 850 | 2017-05-30 07:35:47 | Windows Build: | |
| Revision: 849 | 2017-05-30 07:21:43 | Mac Build: | |
| Revision: 848 | 2017-05-30 07:14:43 | Linux Build: | + changes by Daniel |
| Revision: 847 | 2017-05-24 13:09:33 | Windows Build: | |
| Revision: 846 | 2017-05-24 12:53:31 | Mac Build: | |
| Revision: 845 | 2017-05-24 12:49:03 | Linux Build: | + 'number of atoms in asymmetric unit to skip automatic distance calculation on loading' + 'hide fragment with symmetry or wo' |
| Revision: 844 | 2017-05-02 13:48:34 | Windows Build: | |
| Revision: 843 | 2017-05-02 13:25:54 | Mac Build: | |
| Revision: 842 | 2017-05-02 13:20:47 | Linux Build: | +try tor refine until WHGT converges jumped top to bottom during refinement |
| Revision: 841 | 2017-04-21 21:52:20 | Windows Build: | |
| Revision: 840 | 2017-04-21 21:38:01 | Mac Build: | fix in fix some parameters. |
| Revision: 839 | 2017-03-31 13:55:52 | Windows Build: | |
| Revision: 838 | 2017-03-31 13:29:13 | Mac Build: | |
| Revision: 837 | 2017-03-31 13:10:09 | Linux Build: | +improvments by daniel +unique H-labels for non zero part without residues |
| Revision: 836 | 2017-03-13 12:26:14 | Windows Build: | |
| Revision: 835 | 2017-03-13 12:15:05 | Mac Build: | |
| Revision: 834 | 2017-03-13 12:08:52 | Linux Build: | +typos +ascii logo +changes by daniel k |
| Revision: 833 | 2017-02-09 21:59:54 | Windows Build: | |
| Revision: 832 | 2017-02-09 17:38:39 | Mac Build: | |
| Revision: 831 | 2017-02-09 15:55:39 | Linux Build: | +export FFT maps as cube files +export static bede/lone defden =>to be checked +fixed some typos +changes by daniel... |
| Revision: 830 | 2017-02-03 19:03:45 | Windows Build: | |
| Revision: 829 | 2017-02-03 18:48:57 | Mac Build: | |
| Revision: 828 | 2017-02-03 15:06:48 | Linux Build: | +LONE if m=2 +belo find in structure +hide belo |
| Revision: 827 | 2017-02-01 21:56:05 | Windows Build: | bede needs 6 arguments |
| Revision: 826 | 2017-02-01 20:53:01 | Linux Build: | +again problems with weight ...aeh WGHT |
| Revision: 825 | 2017-01-27 17:45:36 | Windows Build: | |
| Revision: 824 | 2017-01-27 17:16:04 | Mac Build: | |
| Revision: 823 | 2017-01-27 14:50:39 | Linux Build: | +links changed |
| Revision: 822 | 2017-01-25 16:43:35 | Mac Build: | belo only bede sofar |
| Revision: 821 | 2017-01-24 23:07:52 | Windows Build: | now 'change Element to' in contextMenuEvent is not there when symmetry equivalent atoms are clicked. |
| Revision: 820 | 2017-01-24 22:40:36 | Mac Build: | |
| Revision: 819 | 2017-01-24 22:20:24 | Linux Build: | +some chages and fixes made by daniel |
| Revision: 818 | 2017-01-05 21:48:00 | Mac Build: | |
| Revision: 817 | 2017-01-05 21:31:02 | Windows Build: | +fix: some numbers were reported incorrectly in covergeWGHT() |
| Revision: 816 | 2016-11-03 14:24:34 | Windows Build: | |
| Revision: 815 | 2016-11-03 13:52:49 | Mac Build: | |
| Revision: 814 | 2016-11-03 12:06:14 | Linux Build: | |
| Revision: 813 | 2016-10-22 20:30:52 | Windows Build: | |
| Revision: 812 | 2016-10-22 05:22:21 | Mac Build: | |
| Revision: 811 | 2016-10-22 05:06:39 | Linux Build: | +fixes and featurers by DK |
| Revision: 810 | 2016-10-14 16:46:25 | Mac Build: | |
| Revision: 809 | 2016-10-14 15:11:03 | Windows Build: | |
| Revision: 808 | 2016-10-14 14:42:38 | Linux Build: | +many improvments by Daniel Kratzert. |
| Revision: 807 | 2016-09-11 15:59:06 | Windows Build: | |
| Revision: 806 | 2016-09-11 15:27:53 | Mac Build: | |
| Revision: 805 | 2016-09-11 14:58:26 | Linux Build: | +Daniel made a visual output plot widget |
| Revision: 804 | 2016-09-03 16:47:41 | Windows Build: | |
| Revision: 803 | 2016-09-03 16:08:05 | Linux Build: | +some fixes. +marked lines in editor can bes sorted by right click context menu. |
| Revision: 802 | 2016-08-23 20:40:38 | Mac Build: | |
| Revision: 801 | 2016-08-23 15:02:23 | Windows Build: | |
| Revision: 800 | 2016-08-23 13:20:48 | Linux Build: | +fix resolution in FcvsFo was wrong caculated. |
| Revision: 799 | 2016-08-16 23:37:21 | Mac Build: | |
| Revision: 798 | 2016-08-16 13:53:20 | Windows Build: | |
| Revision: 797 | 2016-08-16 12:40:06 | Linux Build: | fix |
| Revision: 796 | 2016-08-16 08:39:43 | Linux Build: | - REMOVED FEATURE: depth cueing - REMOVED FEATURE: x-ray view + NEW FEATURE: Multi-Sample Anti-Aliasing (MSAA) use F4 to toggle it off |
| Revision: 795 | 2016-08-11 20:15:31 | Mac Build: | |
| Revision: 794 | 2016-08-11 13:50:16 | Windows Build: | minimum GLSL Version is 1.20 on systems that do not met this shaders are disabled. |
| Revision: 793 | 2016-08-10 01:47:51 | Windows Build: | +fix |
| Revision: 792 | 2016-08-09 22:18:43 | Windows Build: | using now QGLShaderProgram |
| Revision: 791 | 2016-08-09 17:43:32 | Mac Build: | + multisample anti alias (msaa) + insert ACTA and refine |
| Revision: 790 | 2016-08-09 09:42:07 | Linux Build: | +GLSL shader for atoms +shaders can be enabbed ony if suported by openGL implemntation. +replacing gluSphere by subdevided icosahedron in 3 different levels. +level of detail (LOD) should be: 2 less or equal then LOD less or equal then 4 . |
| Revision: 789 | 2016-08-02 17:27:43 | Windows Build: | |
| Revision: 788 | 2016-08-02 16:42:04 | Mac Build: | |
| Revision: 787 | 2016-08-02 14:09:07 | Linux Build: | more polyeders fixing some bugs |
| Revision: 786 | 2016-07-15 20:45:59 | Windows Build: | |
| Revision: 785 | 2016-07-15 20:12:58 | Mac Build: | display List names bas and wirbas are now static const int variables |
| Revision: 784 | 2016-07-15 13:16:46 | Linux Build: | |
| Revision: 783 | 2016-07-14 17:50:55 | Windows Build: | |
| Revision: 782 | 2016-07-14 17:32:12 | Mac Build: | improved GLList handling... |
| Revision: 781 | 2016-07-14 14:55:01 | Linux Build: | recent changes by daniel |
| Revision: 780 | 2016-07-08 09:25:10 | Windows Build: | |
| Revision: 779 | 2016-07-08 09:10:55 | Linux Build: | |
| Revision: 778 | 2016-07-08 09:08:57 | Linux Build: | +recent changes from Daniel |
| Revision: 777 | 2016-07-08 00:16:18 | Mac Build: | |
| Revision: 776 | 2016-07-07 19:05:44 | Windows Build: | 64 bit version |
| Revision: 775 | 2016-07-07 13:04:07 | Linux Build: | improved use of glu Quadrics. |
| Revision: 774 | 2016-07-04 17:29:24 | Mac Build: | |
| Revision: 773 | 2016-07-04 14:47:26 | Linux Build: | + daniel: Clicking on Invert also inverts the 3D view now. |
| Revision: 772 | 2016-07-04 09:44:51 | Linux Build: | + daniels edits on DSR-GUI + About dialog reports about the 64/32 bit width used in the actual binary of ShelXle. |
| Revision: 771 | 2016-06-30 09:10:58 | Windows Build: | |
| Revision: 770 | 2016-06-02 21:24:47 | Windows Build: | |
| Revision: 769 | 2016-06-02 21:05:16 | Mac Build: | |
| Revision: 768 | 2016-06-02 15:51:13 | Linux Build: | +daniel |
| Revision: 767 | 2016-06-01 08:18:37 | Linux Build: | +new SHELX commands LONE and BEDE included in the list of know instructions. +dsr updates by daniel |
| Revision: 766 | 2016-05-20 16:50:24 | Windows Build: | |
| Revision: 765 | 2016-05-20 11:27:47 | Linux Build: | +changes by daniel kratzert +memory leak when loading to large fcf maps fixed. +fixed this warningi: "libpng warning: iCCP: known incorrect sRGB profile". |
| Revision: 764 | 2016-04-05 19:16:54 | Windows Build: | |
| Revision: 763 | 2016-04-05 19:06:21 | Mac Build: | |
| Revision: 762 | 2016-04-05 19:01:06 | Linux Build: | |
| Revision: 761 | 2016-04-04 18:26:39 | Windows Build: | |
| Revision: 760 | 2016-04-04 18:08:54 | Mac Build: | |
| Revision: 759 | 2016-04-04 14:28:15 | Linux Build: | +some dsr features by daniel. +grow does not complete automatically anymore which helps loading larege alloy stuctures. Find 'complete' in pack menu. |
| Revision: 758 | 2016-01-26 17:39:09 | Windows Build: | |
| Revision: 757 | 2016-01-26 16:52:20 | Mac Build: | |
| Revision: 756 | 2016-01-26 16:02:37 | Linux Build: | here comes the DSR plugin. Thaks to Daniel Kratzert for this contribution! |
| Revision: 755 | 2016-01-26 14:22:54 | Linux Build: | fix of the fix in Rev 751 |
| Revision: 754 | 2016-01-26 13:07:58 | +Layout for History widget | |
| Revision: 753 | 2016-01-14 22:59:25 | Windows Build: | |
| Revision: 752 | 2016-01-14 22:43:07 | Mac Build: | |
| Revision: 751 | 2016-01-14 22:28:05 | fixed a freeze when the " REM" was not atthe beginning of a line in .lst file | |
| Revision: 750 | 2015-11-21 21:17:26 | Windows Build: | |
| Revision: 749 | 2015-11-21 21:07:53 | Mac Build: | +fix of the crash fix before. |
| Revision: 748 | 2015-11-13 13:03:25 | Windows Build: | |
| Revision: 747 | 2015-11-13 12:49:09 | Mac Build: | |
| Revision: 746 | 2015-11-13 12:41:26 | Linux Build: | +crashfix on structures with only 1 isolated atom. +colors of ENVI contact lines can be changed now. |
| Revision: 745 | 2015-10-16 19:26:46 | Mac Build: | +improved visibility logic of hide hydrogens button. |
| Revision: 744 | 2015-10-16 14:27:16 | Linux Build: | |
| Revision: 743 | 2015-10-09 15:55:57 | Mac Build: | |
| Revision: 742 | 2015-10-09 12:19:40 | Windows Build: | |
| Revision: 741 | 2015-10-09 11:45:17 | Linux Build: | A useless Error Message on Windows computers with touch screens will no longer show up. |
| Revision: 740 | 2015-08-20 20:57:46 | Windows Build: | |
| Revision: 739 | 2015-08-20 20:35:00 | Mac Build: | |
| Revision: 738 | 2015-08-20 14:09:31 | Linux Build: | some zoom and matrix funtions for testing ... |
| Revision: 737 | 2015-08-10 16:34:15 | Windows Build: | |
| Revision: 736 | 2015-08-10 16:10:42 | Linux Build: | crashfix for autoHFIX |
| Revision: 735 | 2015-08-06 18:17:23 | Mac Build: | |
| Revision: 734 | 2015-08-06 10:02:08 | Windows Build: | |
| Revision: 733 | 2015-08-06 09:52:21 | Linux Build: | +fixed a problem with Qt older than 4.7 |
| Revision: 732 | 2015-07-13 17:56:42 | Windows Build: | |
| Revision: 731 | 2015-07-13 17:40:35 | Mac Build: | |
| Revision: 730 | 2015-07-13 17:30:17 | Linux Build: | fixed some crashes when functions are used without files loaded |
| Revision: 729 | 2015-07-03 07:22:13 | Windows Build: | |
| Revision: 728 | 2015-07-03 04:57:25 | Mac Build: | |
| Revision: 727 | 2015-07-02 10:06:35 | Linux Build: | some fixes by Joerg Kaercher |
| Revision: 726 | 2015-07-01 16:38:53 | Mac Build: | |
| Revision: 725 | 2015-07-01 13:42:03 | Windows Build: | |
| Revision: 724 | 2015-07-01 13:02:49 | Linux Build: | bugixes by joerg kaercher |
| Revision: 723 | 2015-06-02 20:08:41 | Windows Build: | |
| Revision: 722 | 2015-06-02 19:40:40 | Mac Build: | |
| Revision: 721 | 2015-06-02 15:48:14 | Linux Build: | + a blank button in top of the editor to prevent jumping lines when an error occurs by remarking a line. |
| Revision: 720 | 2015-05-08 07:37:24 | Mac Build: | |
| Revision: 719 | 2015-05-08 07:26:08 | Windows Build: | |
| Revision: 718 | 2015-05-07 14:03:31 | Linux Build: | + Ga added to calculator + after loading a file all previous hidings are removed (q-peaks) + renaming residues class and number order issue fixed. + residues may be now of class "RESI" (RESI RESI 1 or RESI 1 RESI) |
| Revision: 717 | 2015-04-14 19:14:36 | Mac Build: | |
| Revision: 716 | 2015-04-14 19:04:44 | Windows Build: | |
| Revision: 715 | 2015-04-14 09:12:54 | Linux Build: | fix: sort order menu option was missing. |
| Revision: 714 | 2015-03-19 18:59:22 | Windows Build: | |
| Revision: 713 | 2015-03-19 18:38:51 | Mac Build: | some fixes for APEXIII |
| Revision: 712 | 2015-03-05 19:43:39 | Mac Build: | |
| Revision: 711 | 2015-03-05 09:43:11 | Windows Build: | |
| Revision: 710 | 2015-03-05 08:05:12 | Linux Build: | +new features in calculator by pavlo +if saving screenshot fails some work arounds are used, but only in screen resolution. |
| Revision: 709 | 2015-02-02 23:06:14 | Windows Build: | |
| Revision: 708 | 2015-02-02 22:05:59 | Mac Build: | |
| Revision: 707 | 2015-02-02 14:39:52 | Linux Build: | +multiple command line options are now possible for external programs +1,3 Distance is now calulated beside the angle when clicking 3 atoms in a row (information window) [Ctrl]+[F5] reloads the current file from harddisk. |
| Revision: 706 | 2015-01-23 13:47:27 | Mac Build: | |
| Revision: 705 | 2015-01-23 13:30:00 | Windows Build: | |
| Revision: 704 | 2015-01-23 11:29:36 | Linux Build: | +changes by Pavlo +fix UPDATE UNIT does not print numbers in Exp notation anymore +fix extra programs expecting any key can eat a new line now. (Mhh yummy!) +the offline help has ben removed there is a link for thoe onlien help now instead. |
| Revision: 703 | 2015-01-16 22:24:41 | Windows Build: | |
| Revision: 702 | 2015-01-16 22:10:36 | Mac Build: | |
| Revision: 701 | 2015-01-16 12:54:55 | Linux Build: | +some improvements by Pavlo on his calculator |
| Revision: 700 | 2015-01-12 16:18:28 | Mac Build: |