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Tagged files with gromacs 3.0 header and added some license info
[alexxy/gromacs.git]
/
include
/
mdrun.h
2001-05-14
lindahl
Tagged files with gromacs 3.0 header and added some...
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2001-03-11
lindahl
Fixed dummies to work in parallel, even when the dummy...
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2001-03-02
lindahl
Transfer of the entire build system to autoconf/automake.
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2001-02-26
spoel
Added support for zero masses in shake (not lincs)...
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2001-02-06
spoel
Fixed bug in virial with dummies.
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2000-12-12
spoel
Another bug in vcm: masses were counted double...
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2000-11-19
spoel
Prototype change
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2000-09-15
spoel
Forgot these.
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2000-09-14
hess
Committed the new innerloops for Erik Lindahl
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2000-08-22
lindahl
Introduced Nose-Hoover and Parinello-Rahman extended...
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2000-07-22
spoel
This code seems to work without dipole correction to...
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2000-07-19
lindahl
Added a surface_dipole option to the inputrec.
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2000-03-13
spoel
Two changes:
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2000-02-05
spoel
Modified init_md header
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2000-02-04
spoel
Removed unnecessary communication round for acceleratio...
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1999-11-03
hess
copyrgted
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1999-10-25
hess
changed dvdl to dgdl
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1999-10-22
hess
added a dvdl file to mdrun
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1999-07-28
hess
changed steep from fnorm to fmax
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1999-07-22
hess
made mdrun terminate nicely
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1999-06-16
spoel
Fixed faulty headers
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1999-04-01
hess
added dummies to cg and fixed a dummy-bug in steep
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1999-04-01
hess
changed eel_type to coulombtype in mdp and ir
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1999-03-09
hess
added long-range LJ
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1999-03-09
spoel
*** empty log message ***
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1999-02-11
spoel
*** empty log message ***
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1999-01-21
spoel
Added optimization for xmdrun (interaction between...
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1999-01-18
spoel
Fixed closing of trj file in mdrun and xmdrun
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1999-01-18
anton
removed do_any_io
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1999-01-05
spoel
Runner.h is obsolete, mdrunnow has header for get_cmparm
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1998-11-12
spoel
Cleaned up code in md.c (initiation stuff moved to...
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1998-11-09
spoel
Changed prototypes and moved do_cg to mdrun.h
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1998-11-02
hess
fixed pbc for dummies
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1998-08-31
spoel
Modified and new files to do with (optional) Motif...
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1998-07-29
hess
changed do_md from nmrun.c (now in kernel/nm.c) to...
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1998-03-04
spoel
Modified the way in which the dipole is stored (in...
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1997-12-23
anton
Edited by Copyright -> 2.0
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1997-11-27
anton
Edited by copyrgt -> v1.6; fixed loads of inconsistent...
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1997-11-03
spoel
Initial revision
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biod.pnpi.spb.ru / alexxy / gromacs.git / history