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renamed GMX_THREADS to GMX_THREAD_MPI
[alexxy/gromacs.git]
/
src
/
gmxlib
/
tpxio.c
2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-01-25
Roland Schulz
Merge "Merge release-4-5-patches into release-4-6"...
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2012-01-25
Berk Hess
Merge "Added two new bonded functions." into release-4-6
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2012-01-25
David van der Spoel
Added two new bonded functions.
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-01-13
Roland Schulz
Merge "Fixed MSVC compiling with plug-in support" into...
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2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-19
Carsten Kutzner
Enforced rotation
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-09-20
Per Larsson
Changes to GB non-polar solvation calculations
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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
Replaced all occurences of str(n)casecmp with gmx_str...
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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
increased tpx_generation which should have been done...
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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
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Erik Lindahl
Fix to write GB and surface energy to separate terms...
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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
Berk Hess
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-06
Berk Hess
corrected the (irrelevant) default ir->gb_dielectric_of...
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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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2010-07-27
Erik Lindahl
Modified PDB io code to merely store the chain _identif...
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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
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-27
David van der Spoel
Fixed many issues regarding to compilation with C+...
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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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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-22
Berk Hess
corrected NH variables when reading old tpx and cpt...
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2010-01-22
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-19
Berk Hess
fixed incorrect residue renumbering in t_atoms read...
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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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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-07
Berk
moved cmap_grid from mtop to ffparams and idef
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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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2010-01-04
Berk Hess
implemented restraint bonds
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2010-01-04
Michael Shirts
No longer need to specify fep-lambda every time --...
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2010-01-03
Michael Shirts
Fixed the issues with the restraint calculations.
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2010-01-01
Michael Shirts
Latest revision of free energy changes.
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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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2009-12-22
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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2009-12-21
Berk
made tpx files backward compatible again
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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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2009-12-17
Michael Shirts
added back in nosehoover_xi to tpr to avoid incompatibi...
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2009-12-06
Erik Lindahl
Merge branch 'release-4-0-patches' of git.gromacs.org...
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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
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-23
Sander Pronk
Non-bonded kernel source files now conditionally includ...
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2009-11-20
Sander Pronk
Fixed typo in tpxio.c, as pointed out by Ake Sandgren
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2009-11-20
Sander Pronk
Fixed typo in tpxio.c, as pointed out by Ake Sandgren
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2009-11-20
Michael Shirts
Almost working now! not vv for average kinetic energy...
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2009-11-19
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-18
Berk
improved residue numbering
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2009-11-15
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-11-12
Berk
fixed distance restraints when present in multiplenolec...
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2009-11-12
Berk
fixed distance restraints when present in multiple...
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2009-10-25
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-25
Michael Shirts
added changes to take alpha out of the ir->opts. now...
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2009-10-25
Michael Shirts
Made changes suggested by Berk.
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2009-10-21
Teemu Murtola
Fourier dihedrals (dih. type 5) should now work.
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2009-10-21
Teemu Murtola
Fourier dihedrals (dih. type 5) should now work.
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2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-07
Berk Hess
added env.var. to remove charge groups
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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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2009-09-23
Michael Shirts
Code now almost conserves energy. I should investigate...
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