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Changes for the new exclusions code.
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Axel Arnold committed Nov 5, 2004
1 parent a8831f3 commit a48ed7c
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12 changes: 11 additions & 1 deletion RELEASE_NOTES
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Expand Up @@ -8,7 +8,7 @@ What's new, what's been changed, what's been fixed
Current working revision.


- v1.8.1d -
- v1.8.1e -
-----------

(e) November 5th, 2004.
Expand All @@ -18,20 +18,30 @@ Current working revision.
(a) October 18th, 2004.

New Features:
(e) Completely rewritten exclusions code. Ready for testing.
Allows for general exclusions and is stored particle bound, so it
should be faster.
(e) The Morse potential for nonbonded interactions has been added.
(d) Added the famous soft-sphere potential.
(c) Now the P3M limit for the mesh size is configurable and defaults to 128.
(a) The Buckingham potential has been added.
(a) Rattle is in, but probably not yet working.

Changes:
(e) Flags for the compilers changed. gcc is more aggressive now, icc 8.1 should
not issue the silly warnings anymore.
(e) Arijit's exclusion code has more or less been removed.
(c) Switched from POLYGAMMA_EPS to the commonly used ROUND_ERROR_PREC.
(b) By request of too many users, grid.h now explicitely includes limits.h (which
shouldn't be necessary on modern machines, but then you never know).
(a) The new tuning now refuses to use meshes larger than 256, to avoid memory
allocation problems (a 512 grid consumes roughly 3 GB memory!).

Bugfixes:
(e) fixed a mem leak in partCfg, bonds (updatePartCfg(WITH_BONDS)) where never freed.
(e) fixed the particle print out, not handling particles by reference.
(e) fixed try_delete_bond, deleting bonds probably did not work for a long time.
(e) fixed COM with masses, was off by three
(e) Added #ifdef statements for TABULATED and BUCKINGHAM potentials in the interprintall()
(b) Fixed the warning with the recent icc (Blade center).

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