Revision
2917 -
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Modified
Mon Jul 3 13:18:43 2006 UTC
(18 years, 2 months ago)
by
chrisfen
File length: 23628 byte(s)
Diff to
previous 2592
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
Revision
2592 -
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Modified
Thu Feb 16 21:40:20 2006 UTC
(18 years, 6 months ago)
by
gezelter
File length: 23196 byte(s)
Diff to
previous 2432
fixed a problem with cutoff radii being set larger than 1/2 the
length of the shortest box dimension. added a few fortran utility
routines
Revision
2390 -
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Modified
Wed Oct 19 19:24:40 2005 UTC
(18 years, 10 months ago)
by
chrisfen
File length: 21074 byte(s)
Diff to
previous 2329
Still had some globals toUpper problems - these changes should fix those...
Revision
2329 -
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Modified
Mon Sep 26 16:42:53 2005 UTC
(18 years, 11 months ago)
by
chuckv
File length: 21066 byte(s)
Diff to
previous 2310
MPI fix for SimHasAtype in simulation module. We needed a seperate receive buffer.
Revision
2310 -
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Modified
Mon Sep 19 23:21:46 2005 UTC
(18 years, 11 months ago)
by
chrisfen
File length: 20633 byte(s)
Diff to
previous 2274
Fixed bugs in reaction field, now it appears as though it really is working...
Revision
2262 -
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Modified
Sun Jul 3 20:53:43 2005 UTC
(19 years, 2 months ago)
by
chuckv
File length: 20515 byte(s)
Diff to
previous 2220
Added subroutine to set cuttoff for Interaction map and function in simulation.F90 to determine if a particular atype is present in a simulation.
Revision
2220 -
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Modified
Thu May 5 14:47:35 2005 UTC
(19 years, 4 months ago)
by
chrisfen
File length: 18880 byte(s)
Diff to
previous 2204
OOPSE setup for TAP water. It's not parametrized, but OOPSE will now let me run it...
Revision
2204 -
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Modified
Fri Apr 15 22:04:00 2005 UTC
(19 years, 4 months ago)
by
gezelter
File length: 18628 byte(s)
Diff to
previous 1948
xemacs has been drafted to perform our indentation services
Revision
1633 -
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Modified
Fri Oct 22 20:22:48 2004 UTC
(19 years, 10 months ago)
by
gezelter
File length: 17294 byte(s)
Diff to
previous 1609
Added un-busticated fortran files and c/Fortran interfaces
Revision
1608 -
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Added
Wed Oct 20 04:02:48 2004 UTC
(19 years, 10 months ago)
by
gezelter
File length: 16738 byte(s)
name sanity on the fortran side