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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
include
/
mdebin.h
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict depen...
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2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-20
Sander Pronk
Added support for new mdp options controlling free...
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2010-08-20
Berk Hess
added dt to energy file frames
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2010-08-08
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-06
Sander Pronk
BAR calculations can now store energy histograms in...
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2010-07-24
Sander Pronk
New .edr file format: now supports blocks of arbitrary...
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2010-07-22
Sander Pronk
Serialized access to FORTRAN bindings of gromacs's...
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-18
Berk
removed some double initialization code in mdrun
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2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-22
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-21
David van der Spoel
Fixed erroneous implementation of calculation of Cp...
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-18
Michael Shirts
Fixes for entry to and reading extended system variable...
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2010-01-17
Michael Shirts
Revisions to harmonize velocity verlet with Berk's...
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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
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2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Fixed an issue with checkpointing not getting the first...
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2009-12-19
Michael Shirts
Committing to merge
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2009-12-19
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-17
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-30
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-27
Roland Schulz
C++ fixes part2; extern C fixes in header files a*...
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2009-11-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-26
Michael Shirts
Correction to use the reference pressure, not the exter...
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2009-10-25
Michael Shirts
Made changes suggested by Berk.
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2009-09-26
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-07
Michael Shirts
A number of changes to gromacs_mrs. Almost working...
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2009-09-07
Roland Schulz
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
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2009-08-30
kasson
Tool merge
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-15
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-15
Berk Hess
updated the energy file format to store averages over...
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2009-07-06
Sander Pronk
more const-correctness fixes
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2009-07-01
Sander Pronk
enxio is thread safe (and quite possibly works)
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2009-06-30
Sander Pronk
added output_env_t type for querying time scales, and...
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2009-06-25
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
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2009-06-25
Sander Pronk
Fixed many thread-unsafe bits of code; only gmx_wallcyc...
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2009-06-24
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
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2009-06-24
Sander Pronk
Many thread-safety fixes in mdlib; better error reporti...
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2009-06-18
Sander Pronk
Merge branch 'thread_mpi' of git@git.gromacs.org:gromac...
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2009-06-18
Berk Hess
removed static variables and rearranged some data struc...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
hess
updated for C++ compilation
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2009-03-30
hess
replaced dgdl by dhdl
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2009-03-27
hess
implemented foreign lambda free energy difference code
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2009-02-04
hess
energy file format change: energy averages are now...
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2008-12-01
hess
changed the time and lambda parameters in inputrec...
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2008-09-21
hess
fixed the slight kinetic energy mismatch at continuatio...
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2008-09-21
hess
fixed the slight kinetic energy mismatch at continuatio...
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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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2008-08-11
hess
split the t_group struct into a gmx_ekindata_t struct...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-07-03
hess
removed the t_groups pointer from init_md which caused...
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2008-06-16
hess
removed unused time and ensemble averaging parameters...
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2007-09-06
hess
implemented a -nosum option for mdrun to not call globa...
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2007-07-13
hess
mdrun now only writes a log file on the master node...
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2007-06-13
lindahl
Reverted out the multilambda supported committed yesterday.
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2007-06-12
lindahl
Initial multilambda support added, i.e. we can now...
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2005-05-24
hess
fixed incorrect averages and fluctuations print in...
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2004-08-10
hess
added reaction-field correction for excluded atom pairs...
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2004-01-22
lindahl
Added Michael Shirts long-range dispersion and repulsio...
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2003-11-17
spoel
Upped the version to 3.2.0
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2003-06-16
hess
added coupling data to tpx and enx and updated txtdump...
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2003-06-12
hess
added a struct t_state which should contain all informa...
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2002-11-06
lindahl
Partial commit of the project to remove all static...
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2002-02-28
spoel
Updated copyrgt
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2002-01-25
hess
added orientation restraints, extended the energy file...
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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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2000-08-22
lindahl
Introduced Nose-Hoover and Parinello-Rahman extended...
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2000-05-24
hess
integrate LINCS log output into the energy output
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2000-02-21
hess
added viscosity calculation
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1999-11-25
spoel
Fixed parallel bug in writing energies
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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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1999-06-03
hess
added surfacetension to the energy file
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1999-04-07
spoel
Added option for writing dispcorr
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