Revision
3129 -
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Modified
Fri Apr 20 18:15:48 2007 UTC
(17 years, 4 months ago)
by
chrisfen
File length: 3001 byte(s)
Diff to
previous 2917
SF Lennard-Jones was added for everyones' enjoyment. The behavior is tethered to the electrostaticSummationMethod keyword.
Revision
2917 -
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Modified
Mon Jul 3 13:18:43 2006 UTC
(18 years, 2 months ago)
by
chrisfen
File length: 2923 byte(s)
Diff to
previous 2508
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
Revision
2508 -
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Modified
Mon Dec 12 19:32:50 2005 UTC
(18 years, 8 months ago)
by
gezelter
File length: 2506 byte(s)
Diff to
previous 2461
made some minor changes to allow compilation with the portland group
compilers
Revision
2358 -
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Modified
Wed Oct 12 20:22:34 2005 UTC
(18 years, 10 months ago)
by
chuckv
File length: 1558 byte(s)
Diff to
previous 2309
Breaky, Breaky: c-fortran interface now expects an array for pot.
Revision
2309 -
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Modified
Sun Sep 18 20:45:38 2005 UTC
(18 years, 11 months ago)
by
chrisfen
File length: 1460 byte(s)
Diff to
previous 2307
reaction field seems to work now, still need to do some testing...
Revision
2295 -
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Modified
Thu Sep 15 00:13:15 2005 UTC
(18 years, 11 months ago)
by
chrisfen
File length: 1675 byte(s)
Diff to
previous 2285
some changes to activate the coulombicCorrection selector
Revision
2204 -
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Modified
Fri Apr 15 22:04:00 2005 UTC
(19 years, 4 months ago)
by
gezelter
File length: 1353 byte(s)
Diff to
previous 1948
xemacs has been drafted to perform our indentation services
Revision
1948 -
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Added
Fri Jan 14 20:31:16 2005 UTC
(19 years, 7 months ago)
by
gezelter
File length: 1365 byte(s)
separating modules and C/Fortran interface subroutines