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Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
kernel
/
tpbcmp.c
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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2010-08-21
Erik Lindahl
Fixed an uninitialized variable bug
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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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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Berk Hess
added group comparison to gmxcheck and print groups...
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2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-13
Berk Hess
gmxcheck now prints rmsd's as %g iso %f
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2010-08-08
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-08
Berk
moved nstcalcenergy just before nstenergy in mdp, log...
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2010-08-06
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-05
Berk Hess
sc_sigma now also sets the minimum value for the soft...
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2010-08-05
Berk Hess
gmxcheck now compares terms by name matching
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2010-08-04
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-04
Berk Hess
gmxcheck now using the diagonal for relative tolerance...
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2010-07-24
Sander Pronk
New .edr file format: now supports blocks of arbitrary...
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-08
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-07
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-06
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-06
Berk Hess
added mdp parameter for FE dH tables
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2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-22
Sander Pronk
Most (if not all) file operations are now thread safe.
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2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-12
David van der Spoel
Fixed a lot of spelling errors in comments and document...
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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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2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-22
David van der Spoel
Merge branch 'master' of git@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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2010-01-22
Michael Shirts
A variety of changes to correctly do checkpointing...
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-17
Michael Shirts
Revisions to harmonize velocity verlet with Berk's...
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2010-01-13
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-11
Michael Shirts
changes the nnhchains name to nhchainlength
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2010-01-11
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-11
Berk Hess
made separate arrays for NH pressure variables
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2010-01-11
Berk
update tpbcmp for VV
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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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2009-12-19
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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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-26
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-26
Michael Shirts
Now we are getting energy conservation with NPT, and...
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-17
Berk Hess
added -rmsd option to gmxcheck
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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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2009-09-12
Roland Schulz
Merge branch 'master' of git@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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2009-09-09
Erik Lindahl
New all-vs-all loops and working SSE gb kernels+radii...
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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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2009-07-14
Berk Hess
added mdp parameters nstcalcenergy and rlistlong and...
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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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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
lindahl
Fixed warnings when GNU C++ 4.3 is used.
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2009-06-03
hess
updated for C++ compilation
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2009-06-03
lindahl
More fixes for warnings after enabling Gromacs compilat...
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2009-03-30
hess
renamed dgdl to dhdl
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2009-03-27
hess
implemented foreign lambda free energy difference code
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2009-02-04
hess
energy file format change: energy averages are now...
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2009-02-02
hess
changed most step count variables from int to gmx_step_t
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2009-01-30
lindahl
Initial commit of generalized born electrostatics....
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2008-12-01
hess
changed the time and lambda parameters in inputrec...
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2008-12-01
hess
fixed minor formatting issues
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2008-12-01
hess
fixed minor formatting issues
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2008-08-08
hess
fixed incorrect error message for tabulated bondeds...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-06-19
hess
implemented fep for the umbrella k in COM pulling
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2008-06-18
hess
fixed binary exact checkpoint continuation with pressur...
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2008-06-17
hess
implemented checkpointing for distance and orientation...
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2008-06-16
hess
removed unused time and ensemble averaging parameters...
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2008-05-29
lindahl
Added new generalized born parameters to tpr format.
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2008-03-17
hess
implemented free-energy coupling options in grompp...
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2008-02-28
spoel
Made output more informative
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2008-02-15
spoel
Added extra field in the t_atom struct containing atom...
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