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si...@googlecode.com
4/1/15
[sire] r2775 committed - minimizer method for OpenMMFrEnergyST now working
Revision: 2775 Author: julie...@googlemail.com Date: Wed Apr 1 22:42:49 2015 UTC Log: minimizer
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[sire] r2775 committed - minimizer method for OpenMMFrEnergyST now working
Revision: 2775 Author: julie...@googlemail.com Date: Wed Apr 1 22:42:49 2015 UTC Log: minimizer
4/1/15
si...@googlecode.com
4/1/15
[sire] r2774 committed - Fixed a method declaration syntax error in OpenMMFrEnergySt::minimzer(...
Revision: 2774 Author: julie...@gmail.com Date: Wed Apr 1 15:33:06 2015 UTC Log: Fixed a method
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[sire] r2774 committed - Fixed a method declaration syntax error in OpenMMFrEnergySt::minimzer(...
Revision: 2774 Author: julie...@gmail.com Date: Wed Apr 1 15:33:06 2015 UTC Log: Fixed a method
4/1/15
si...@googlecode.com
4/1/15
[sire] r2773 committed - Commit of the python wrappers for new interface to OpenMMFrENergyST
Revision: 2773 Author: julie...@gmail.com Date: Wed Apr 1 15:30:17 2015 UTC Log: Commit of the
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[sire] r2773 committed - Commit of the python wrappers for new interface to OpenMMFrENergyST
Revision: 2773 Author: julie...@gmail.com Date: Wed Apr 1 15:30:17 2015 UTC Log: Commit of the
4/1/15
si...@googlecode.com
4/1/15
[sire] r2772 committed - Corelib commit of minimizer method for OpenMMFrEnergyST object (code i...
Revision: 2772 Author: julie...@googlemail.com Date: Wed Apr 1 14:53:21 2015 UTC Log: Corelib
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[sire] r2772 committed - Corelib commit of minimizer method for OpenMMFrEnergyST object (code i...
Revision: 2772 Author: julie...@googlemail.com Date: Wed Apr 1 14:53:21 2015 UTC Log: Corelib
4/1/15
si...@googlecode.com
3/30/15
[sire] r2771 committed - Added support for distance restraints (python layer)
Revision: 2771 Author: julie...@googlemail.com Date: Mon Mar 30 08:24:31 2015 UTC Log: Added
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[sire] r2771 committed - Added support for distance restraints (python layer)
Revision: 2771 Author: julie...@googlemail.com Date: Mon Mar 30 08:24:31 2015 UTC Log: Added
3/30/15
si...@googlecode.com
3/30/15
[sire] r2770 committed - Added support for distance restraints in OpenMM free energy calculatio...
Revision: 2770 Author: julie...@googlemail.com Date: Mon Mar 30 08:23:13 2015 UTC Log: Added
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[sire] r2770 committed - Added support for distance restraints in OpenMM free energy calculatio...
Revision: 2770 Author: julie...@googlemail.com Date: Mon Mar 30 08:23:13 2015 UTC Log: Added
3/30/15
si...@googlecode.com
2/25/15
[sire] r2769 committed - gradient is calculated per block and not as cumulative gradient - upda...
Revision: 2769 Author: nivi...@googlemail.com Date: Wed Feb 25 22:14:13 2015 UTC Log: gradient is
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[sire] r2769 committed - gradient is calculated per block and not as cumulative gradient - upda...
Revision: 2769 Author: nivi...@googlemail.com Date: Wed Feb 25 22:14:13 2015 UTC Log: gradient is
2/25/15
si...@googlecode.com
2/25/15
[sire] r2768 committed - The gradient is calculated per block and not as accumulative gradient
Revision: 2768 Author: nivi...@googlemail.com Date: Wed Feb 25 21:57:48 2015 UTC Log: The gradient
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[sire] r2768 committed - The gradient is calculated per block and not as accumulative gradient
Revision: 2768 Author: nivi...@googlemail.com Date: Wed Feb 25 21:57:48 2015 UTC Log: The gradient
2/25/15
si...@googlecode.com
2/4/15
[sire] r2767 committed - equlibration bug
Revision: 2767 Author: nivi...@googlemail.com Date: Wed Feb 4 14:38:09 2015 UTC Log: equlibration
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[sire] r2767 committed - equlibration bug
Revision: 2767 Author: nivi...@googlemail.com Date: Wed Feb 4 14:38:09 2015 UTC Log: equlibration
2/4/15
si...@googlecode.com
11/28/14
[sire] r2766 committed - test
Revision: 2766 Author: nivi...@googlemail.com Date: Sat Nov 29 00:02:17 2014 UTC Log: test https://
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[sire] r2766 committed - test
Revision: 2766 Author: nivi...@googlemail.com Date: Sat Nov 29 00:02:17 2014 UTC Log: test https://
11/28/14
si...@googlecode.com
11/28/14
[sire] r2765 committed - CPU flag bug correction
Revision: 2765 Author: nivi...@googlemail.com Date: Fri Nov 28 23:15:57 2014 UTC Log: CPU flag bug
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[sire] r2765 committed - CPU flag bug correction
Revision: 2765 Author: nivi...@googlemail.com Date: Fri Nov 28 23:15:57 2014 UTC Log: CPU flag bug
11/28/14
si...@googlecode.com
11/28/14
[sire] r2764 committed - test commit
Revision: 2764 Author: nivi...@googlemail.com Date: Fri Nov 28 23:15:29 2014 UTC Log: test commit
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[sire] r2764 committed - test commit
Revision: 2764 Author: nivi...@googlemail.com Date: Fri Nov 28 23:15:29 2014 UTC Log: test commit
11/28/14
si...@googlecode.com
11/28/14
[sire] r2763 committed - CPU flag bug correction
Revision: 2763 Author: nivi...@googlemail.com Date: Fri Nov 28 23:14:37 2014 UTC Log: CPU flag bug
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[sire] r2763 committed - CPU flag bug correction
Revision: 2763 Author: nivi...@googlemail.com Date: Fri Nov 28 23:14:37 2014 UTC Log: CPU flag bug
11/28/14
si...@googlecode.com
11/17/14
[sire] r2762 committed - Adding in the fixed version of QuantumToMM that correctly calculates a...
Revision: 2762 Author: chrys...@gmail.com Date: Mon Nov 17 11:00:28 2014 UTC Log: Adding in the
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[sire] r2762 committed - Adding in the fixed version of QuantumToMM that correctly calculates a...
Revision: 2762 Author: chrys...@gmail.com Date: Mon Nov 17 11:00:28 2014 UTC Log: Adding in the
11/17/14
si...@googlecode.com
10/30/14
[sire] r2761 committed - ...
Revision: 2761 Author: julie...@googlemail.com Date: Thu Oct 30 13:41:42 2014 UTC Log: python code
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[sire] r2761 committed - ...
Revision: 2761 Author: julie...@googlemail.com Date: Thu Oct 30 13:41:42 2014 UTC Log: python code
10/30/14
si...@googlecode.com
10/30/14
[sire] r2760 committed - ...
Revision: 2760 Author: julie...@googlemail.com Date: Thu Oct 30 13:39:41 2014 UTC Log: Creating a
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[sire] r2760 committed - ...
Revision: 2760 Author: julie...@googlemail.com Date: Thu Oct 30 13:39:41 2014 UTC Log: Creating a
10/30/14
si...@googlecode.com
10/29/14
[sire] r2759 committed - Bugfix DCD trajectory writer
Revision: 2759 Author: julie...@googlemail.com Date: Wed Oct 29 16:48:28 2014 UTC Log: Bugfix DCD
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[sire] r2759 committed - Bugfix DCD trajectory writer
Revision: 2759 Author: julie...@googlemail.com Date: Wed Oct 29 16:48:28 2014 UTC Log: Bugfix DCD
10/29/14
si...@googlecode.com
10/28/14
[sire] r2758 committed - updated wrappers
Revision: 2758 Author: julie...@gmail.com Date: Tue Oct 28 16:23:21 2014 UTC Log: updated wrappers
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[sire] r2758 committed - updated wrappers
Revision: 2758 Author: julie...@gmail.com Date: Tue Oct 28 16:23:21 2014 UTC Log: updated wrappers
10/28/14
si...@googlecode.com
10/28/14
[sire] r2757 committed - I have started modifying the rigid body code so it is possible to pass...
Revision: 2757 Author: julie...@googlemail.com Date: Tue Oct 28 15:40:15 2014 UTC Log: I have
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[sire] r2757 committed - I have started modifying the rigid body code so it is possible to pass...
Revision: 2757 Author: julie...@googlemail.com Date: Tue Oct 28 15:40:15 2014 UTC Log: I have
10/28/14
si...@googlecode.com
10/27/14
[sire] r2756 committed - Fixed some bugs compiling the new dependencies on Linux
Revision: 2756 Author: chrys...@gmail.com Date: Mon Oct 27 11:39:19 2014 UTC Log: Fixed some bugs
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[sire] r2756 committed - Fixed some bugs compiling the new dependencies on Linux
Revision: 2756 Author: chrys...@gmail.com Date: Mon Oct 27 11:39:19 2014 UTC Log: Fixed some bugs
10/27/14
si...@googlecode.com
10/24/14
[sire] r2755 committed - Updated the python interpreter to 3.4.2 to fix a compile error on Yose...
Revision: 2755 Author: chrys...@gmail.com Date: Fri Oct 24 11:19:03 2014 UTC Log: Updated the
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[sire] r2755 committed - Updated the python interpreter to 3.4.2 to fix a compile error on Yose...
Revision: 2755 Author: chrys...@gmail.com Date: Fri Oct 24 11:19:03 2014 UTC Log: Updated the
10/24/14
si...@googlecode.com
10/24/14
[sire] r2754 committed - Added in the bundles for new dependencies opensll, zlib and sqlite. Th...
Revision: 2754 Author: chrys...@gmail.com Date: Fri Oct 24 11:15:15 2014 UTC Log: Added in the
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[sire] r2754 committed - Added in the bundles for new dependencies opensll, zlib and sqlite. Th...
Revision: 2754 Author: chrys...@gmail.com Date: Fri Oct 24 11:15:15 2014 UTC Log: Added in the
10/24/14
si...@googlecode.com
10/23/14
[sire] r2753 committed - bugfix rbworkspace in evotec branch
Revision: 2753 Author: julie...@googlemail.com Date: Thu Oct 23 20:56:27 2014 UTC Log: bugfix
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[sire] r2753 committed - bugfix rbworkspace in evotec branch
Revision: 2753 Author: julie...@googlemail.com Date: Thu Oct 23 20:56:27 2014 UTC Log: bugfix
10/23/14
si...@googlecode.com
10/23/14
[sire] r2752 committed - Bugfixes to rb code. Some matrices elements are not initialise an orde...
Revision: 2752 Author: julie...@googlemail.com Date: Thu Oct 23 19:50:57 2014 UTC Log: Bugfixes to
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[sire] r2752 committed - Bugfixes to rb code. Some matrices elements are not initialise an orde...
Revision: 2752 Author: julie...@googlemail.com Date: Thu Oct 23 19:50:57 2014 UTC Log: Bugfixes to
10/23/14
si...@googlecode.com
10/21/14
[sire] r2751 committed - Updated python wrappers for evotec2014pre.1 branch
Revision: 2751 Author: julie...@googlemail.com Date: Tue Oct 21 08:23:29 2014 UTC Log: Updated
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[sire] r2751 committed - Updated python wrappers for evotec2014pre.1 branch
Revision: 2751 Author: julie...@googlemail.com Date: Tue Oct 21 08:23:29 2014 UTC Log: Updated
10/21/14
si...@googlecode.com
10/21/14
[sire] r2750 committed - Commit of changes to cljpotential.cpp on evotec2014pre.1 branch
Revision: 2750 Author: julie...@googlemail.com Date: Tue Oct 21 08:22:19 2014 UTC Log: Commit of
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[sire] r2750 committed - Commit of changes to cljpotential.cpp on evotec2014pre.1 branch
Revision: 2750 Author: julie...@googlemail.com Date: Tue Oct 21 08:22:19 2014 UTC Log: Commit of
10/21/14
si...@googlecode.com
10/21/14
[sire] r2749 committed - ...
Revision: 2749 Author: julie...@googlemail.com Date: Tue Oct 21 08:18:39 2014 UTC Log: Added
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[sire] r2749 committed - ...
Revision: 2749 Author: julie...@googlemail.com Date: Tue Oct 21 08:18:39 2014 UTC Log: Added
10/21/14
si...@googlecode.com
10/14/14
[sire] r2748 committed - temporary fix to the dcd writing problem with ions
Revision: 2748 Author: nividic73 Date: Tue Oct 14 12:32:31 2014 UTC Log: temporary fix to the dcd
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[sire] r2748 committed - temporary fix to the dcd writing problem with ions
Revision: 2748 Author: nividic73 Date: Tue Oct 14 12:32:31 2014 UTC Log: temporary fix to the dcd
10/14/14
si...@googlecode.com
9/25/14
[sire] r2747 committed -
Revision: 2747 Author: nividic73 Date: Thu Sep 25 15:23:01 2014 UTC Log: https://code.google.com/p/
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[sire] r2747 committed -
Revision: 2747 Author: nividic73 Date: Thu Sep 25 15:23:01 2014 UTC Log: https://code.google.com/p/
9/25/14
si...@googlecode.com
9/25/14
[sire] r2746 committed - fixed bug in the Platform selection
Revision: 2746 Author: nividic73 Date: Thu Sep 25 14:45:38 2014 UTC Log: fixed bug in the Platform
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[sire] r2746 committed - fixed bug in the Platform selection
Revision: 2746 Author: nividic73 Date: Thu Sep 25 14:45:38 2014 UTC Log: fixed bug in the Platform
9/25/14
