Revision
1725 -
Directory Listing
-
[select for diffs]
Modified
Sat May 26 18:13:43 2012 UTC
(12 years, 11 months ago)
by
gezelter
Diff to
previous 1710
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).
ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
Revision
1710 -
Directory Listing
-
[select for diffs]
Modified
Fri May 18 21:44:02 2012 UTC
(12 years, 11 months ago)
by
gezelter
Diff to
previous 1668
Added an adapter layer between the AtomType and the rest of the code to
handle the bolt-on capabilities of new types.
Fixed a long-standing bug in how storageLayout was being set to the maximum
possible value.
Started to add infrastructure for Polarizable and fluc-Q calculations.
Revision
1655 -
Directory Listing
-
[select for diffs]
Modified
Mon Oct 3 20:32:45 2011 UTC
(13 years, 7 months ago)
by
gezelter
Diff to
previous 1647
Replacing most of the C-code with C++ code, and migrating the config.h
file into the PROJECT_BINARY_DIR so that we can have multiple builds
on the same architecture.
Revision
1210 -
Directory Listing
-
[select for diffs]
Modified
Wed Jan 23 03:45:33 2008 UTC
(17 years, 3 months ago)
by
gezelter
Original Path:
trunk/src/applications/hydrodynamics
Diff to
previous 1208
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.