[ViewVC] Log of: OpenMD/branches/development/src/flucq/FluctuatingChargeNVT.cpp

Revision 1874 - (view) (annotate) - [select for diffs]
Modified Wed May 15 15:09:35 2013 UTC (11 years, 11 months ago) by gezelter
File length: 7887 byte(s)
Diff to previous 1870

Fixed a bunch of cppcheck warnings.

Revision 1870 - (view) (annotate) - [select for diffs]
Modified Tue May 7 19:09:54 2013 UTC (11 years, 11 months ago) by gezelter
File length: 7924 byte(s)
Diff to previous 1850

Chasing down bugs in the TIP4P_FQ model.

Revision 1850 - (view) (annotate) - [select for diffs]
Modified Wed Feb 20 15:39:39 2013 UTC (12 years, 2 months ago) by gezelter
File length: 8049 byte(s)
Diff to previous 1766

Fixed a widespread typo in the license

Revision 1766 - (view) (annotate) - [select for diffs]
Modified Thu Jul 5 17:08:25 2012 UTC (12 years, 9 months ago) by gezelter
File length: 8048 byte(s)
Diff to previous 1764

Added Fluctuating Charge Langevin propagator, and made it the default
fixed some errors on the one-center slater coulomb integrals, and some
parameters in PhysicalConstants.

Revision 1764 - (view) (annotate) - [select for diffs]
Modified Tue Jul 3 18:32:27 2012 UTC (12 years, 9 months ago) by gezelter
File length: 7925 byte(s)
Diff to previous 1761

Refactored Snapshot and Stats to use the Accumulator classes.  Collected
a number of methods into Thermo that belonged there.

Revision 1761 - (view) (annotate) - [select for diffs]
Modified Fri Jun 22 20:01:37 2012 UTC (12 years, 10 months ago) by gezelter
File length: 8061 byte(s)
Diff to previous 1760

fixes for fluctuating charges

Revision 1760 - (view) (annotate) - [select for diffs]
Modified Thu Jun 21 19:26:46 2012 UTC (12 years, 10 months ago) by gezelter
File length: 8467 byte(s)
Diff to previous 1739

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

Revision 1739 - (view) (annotate) - [select for diffs]
Modified Tue Jun 5 17:58:55 2012 UTC (12 years, 10 months ago) by gezelter
File length: 8489 byte(s)
Diff to previous 1735

Moved the propagators for flucq

Revision 1735 - (view) (annotate) - [select for diffs]
Modified Tue Jun 5 17:50:53 2012 UTC (12 years, 10 months ago) by jmichalk
File length: 9203 byte(s)
Diff to previous 1731

Moved FluctuatingChargeNVT to the flucq directory

Revision 1731 - (view) (annotate) - [select for diffs]
Modified Thu May 31 12:25:30 2012 UTC (12 years, 11 months ago) by gezelter
File length: 8951 byte(s)
Copied from: branches/development/src/integrators/FluctuatingChargeNVT.cpp revision 1730
Diff to previous 1716

Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.

Revision 1716 - (view) (annotate) - [select for diffs]
Added Wed May 23 01:26:15 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/integrators/FluctuatingChargeNVT.cpp
File length: 8881 byte(s)

Adding the propagators for FlucQ

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