Revision
893 -
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Modified
Mon Dec 29 19:56:39 2003 UTC
(20 years, 6 months ago)
by
chuckv
Diff to
previous 882
,
to
selected 530
Added third-party directory for code not written by us. Also added Mersenne Twister random number generator code. This will eventually replace sprng as the random number generator used by OOPSE.
Revision
882 -
Directory Listing
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Modified
Wed Dec 17 20:13:33 2003 UTC
(20 years, 6 months ago)
by
chuckv
Diff to
previous 851
,
to
selected 530
Fixed bug in parallel EAM. rho_row and rho_col were scattered into the same array. Unfortunately, MPI zeros the array between scatters so half of the sum was being lost. Fixed by added a temp array for column scatter, then sum loop over nlocal.
Revision
530 -
Directory Listing
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[selected]
Modified
Fri May 9 19:51:30 2003 UTC
(21 years, 2 months ago)
by
mmeineke
Diff to
previous 485
fixed up the TraPPE_Ex force field. there were some duplicate entries
added a two chain lipid to the lipid.mdl in sample