[ViewVC] Log of: OpenMD/trunk/src/flucq/FluctuatingChargeObjectiveFunction.cpp

Revision 1929 - (view) (annotate) - [select for diffs]
Modified Mon Aug 19 13:12:00 2013 UTC (11 years, 8 months ago) by gezelter
File length: 5642 byte(s)
Diff to previous 1927 , to selected 1767

Backing out fluc-rho and putting back the Electrostatic fluctuating
charge with coulomb integrals for atoms within a region.

Revision 1927 - (view) (annotate) - [select for diffs]
Modified Wed Aug 14 20:19:19 2013 UTC (11 years, 8 months ago) by gezelter
File length: 5753 byte(s)
Diff to previous 1879 , to selected 1767

FlucRho/EAM initial commit

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Modified Sun Jun 16 15:15:42 2013 UTC (11 years, 10 months ago) by gezelter
File length: 5642 byte(s)
Diff to previous 1782 , to selected 1767

MERGE OpenMD development 1783:1878 into trunk

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Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 5641 byte(s)
Diff to previous 1767

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1767 - (view) (annotate) - [selected]
Modified Fri Jul 6 22:01:58 2012 UTC (12 years, 9 months ago) by gezelter
Original Path: branches/development/src/flucq/FluctuatingChargeObjectiveFunction.cpp
File length: 5641 byte(s)
Diff to previous 1761

Various fixes required to compile OpenMD with the MS Visual C++ compiler

Revision 1761 - (view) (annotate) - [select for diffs]
Modified Fri Jun 22 20:01:37 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/flucq/FluctuatingChargeObjectiveFunction.cpp
File length: 5662 byte(s)
Diff to previous 1760 , to selected 1767

fixes for fluctuating charges

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Modified Thu Jun 21 19:26:46 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/flucq/FluctuatingChargeObjectiveFunction.cpp
File length: 6053 byte(s)
Diff to previous 1756 , to selected 1767

Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData

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Modified Mon Jun 18 18:23:20 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/flucq/FluctuatingChargeObjectiveFunction.cpp
File length: 5426 byte(s)
Diff to previous 1740 , to selected 1767

bugfixes for self interactions (particularly in parallel)

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Added Tue Jun 5 18:01:50 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/flucq/FluctuatingChargeObjectiveFunction.cpp
File length: 5434 byte(s)
Diff to selected 1767

Adding the Flucq constraints and objective function for minimization

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