[ViewVC] Log of: OpenMD/branches/development/src/nonbonded/SlaterIntegrals.hpp

Revision 1874 - (view) (annotate) - [select for diffs]
Modified Wed May 15 15:09:35 2013 UTC (12 years ago) by gezelter
File length: 19186 byte(s)
Diff to previous 1808

Fixed a bunch of cppcheck warnings.

Revision 1808 - (view) (annotate) - [selected]
Modified Mon Oct 22 20:42:10 2012 UTC (12 years, 7 months ago) by gezelter
File length: 19218 byte(s)
Diff to previous 1767

A bug fix in the electric field for the new electrostatic code.  Also comment fixes for Doxygen

Revision 1767 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (12 years, 11 months ago) by gezelter
File length: 19222 byte(s)
Diff to previous 1766 , to selected 1808

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

Revision 1766 - (view) (annotate) - [select for diffs]
Modified Thu Jul 5 17:08:25 2012 UTC (12 years, 11 months ago) by gezelter
File length: 19245 byte(s)
Diff to previous 1749 , to selected 1808

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 1749 - (view) (annotate) - [select for diffs]
Modified Thu Jun 7 02:47:21 2012 UTC (13 years ago) by gezelter
File length: 18682 byte(s)
Diff to previous 1734 , to selected 1808

fixed an uninitialized option bug, fixed gcc 4.6 compilation problems

Revision 1734 - (view) (annotate) - [select for diffs]
Modified Tue Jun 5 17:49:36 2012 UTC (13 years ago) by jmichalk
File length: 18663 byte(s)
Diff to previous 1730 , to selected 1808

Fixed the Slater overlap integral code, added dVdFq to the self interaction.

Revision 1730 - (view) (annotate) - [select for diffs]
Modified Wed May 30 17:19:13 2012 UTC (13 years ago) by gezelter
File length: 18559 byte(s)
Diff to previous 1718 , to selected 1808

Fixed compilation issues

Revision 1718 - (view) (annotate) - [select for diffs]
Added Thu May 24 01:29:59 2012 UTC (13 years ago) by gezelter
File length: 18540 byte(s)
Diff to selected 1808

Adding fluctuating charges, still a work in progress

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