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Tagged files with gromacs 3.0 header and added some license info
[alexxy/gromacs.git]
/
include
/
update.h
2001-05-14
lindahl
Tagged files with gromacs 3.0 header and added some...
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2001-03-02
lindahl
Transfer of the entire build system to autoconf/automake.
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2001-02-21
hess
added projection only routines for lincs to accomodate...
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2000-11-06
hess
added option to use tau_t as inverse friction constants...
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2000-10-18
hess
implemented Wilfreds leap-frog integrator, renamed...
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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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2000-07-03
hess
implemented simulated annealing for SD
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2000-06-06
hess
implemented fully anisotropic pressure coupling, change...
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2000-04-19
lindahl
Changed the shift code to use list of ivec with separat...
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2000-02-21
hess
added viscosity calculation
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2000-02-10
hess
added softcore option in inputrec, removed deltagrid...
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2000-02-05
spoel
Added function for testing effect of removing the vcm...
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2000-02-05
spoel
fixed NEMD issues
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1999-11-22
anton
replaced all uint ulong ushort by unsigned int/long...
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1999-11-03
hess
copyrgted
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1999-10-12
hess
replaced freezefac by ir->opts.nFreeze
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1999-08-13
hess
set the pressure to zero when box=none, removed bFirstS...
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1999-08-04
tieleman
variable naam veranderd vna pull naar pulldata
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1999-06-16
spoel
Fixed faulty headers
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1999-06-02
hess
moved the constraint stuff form update.c to constr.c
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1999-06-02
hess
put the constraints code in several seperate functions
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1999-01-14
hess
enhanced the lincs warnings
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1998-11-04
hess
insettleable molecules now generate a fatal error
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1998-10-07
spoel
Changed calculation of virial (to accomodate PPPM viria...
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1998-04-30
spoel
Moved pressure and temperature related functions to...
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1998-04-28
spoel
Modified files for calling fortran thru a single m4...
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1998-03-11
spoel
Modified files in conjunction with P coupling
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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