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Tagged files with gromacs 3.0 header and added some license info
[alexxy/gromacs.git]
/
include
/
types
/
inputrec.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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2001-02-12
spoel
Changed DispCorr option from boolean to enumerated
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2000-10-18
hess
implemented Wilfreds leap-frog integrator, renamed...
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2000-09-14
hess
removed solv opt from ir
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2000-08-22
lindahl
Introduced Nose-Hoover and Parinello-Rahman extended...
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2000-07-19
lindahl
Added a surface_dipole option to the inputrec.
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2000-06-06
hess
implemented fully anisotropic pressure coupling, change...
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2000-05-24
hess
removed nstlincsout, added sc_sigma and changed ir...
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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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1999-12-16
hess
added energy group exclusions
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1999-11-03
hess
copyrgted
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1999-09-04
spoel
Put back niter in the inputrec struct. It was needed...
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1999-09-03
hess
split the 1-4 energy into LJ and Coulomb, rearranged...
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1999-09-01
hess
removed the unused eDisre from the inputrec
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1999-07-26
lindahl
New input parameters for Ewald & PME added to forcerec...
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1999-04-13
spoel
Removed obsolete variable fudgeLJ from inputrec
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1999-04-01
hess
changed eel_type to coulombtype in mdp and ir
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1999-03-30
spoel
Added support for twin-range cutoffs with other than...
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1999-03-09
hess
added long-range LJ
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1999-03-05
hess
changed 2 cut-off parameters to 5
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1999-02-11
hess
moved nstdisreout down in the list
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1999-02-11
spoel
*** empty log message ***
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1999-02-11
hess
added ns_dr, bLJshift and nstdisreout and fr->rlj
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1999-02-03
hess
renamed and added dummies and changed a lot of NMR...
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1999-01-18
anton
changed nstprint to nstlog and nstenergy
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1998-10-23
anton
typo
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1998-08-26
hess
renamed some mdp options
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1998-05-27
anton
added eDisre and nstcgsteep to t_gromppopts
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1998-03-11
spoel
Modified type for pressure coupling in inputrec from...
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1997-11-03
spoel
Initial revision
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biod.pnpi.spb.ru / alexxy / gromacs.git / history