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Fix malformed CUDA version macro check
[alexxy/gromacs.git]
/
include
/
constr.h
2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-27
Roland Schulz
Add visibility defines
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-19
Roland Schulz
Merge "[tools] Allow g_dist to use default index group...
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2012-10-19
Kasson
Merge "renamed constraint variables rmdr to vir_r_m_dr...
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2012-10-18
Berk Hess
renamed constraint variables rmdr to vir_r_m_dr
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2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
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2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
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2012-05-27
David van der Spoel
Merge "added explicit sqrtf to the float version of...
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2012-05-25
David van der Spoel
Merge "grompp now retains the order of bonds converted...
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2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
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2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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2012-05-23
Roland Schulz
Code cleanup to avoid name collisions
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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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
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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2010-06-09
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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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
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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2009-11-19
Michael Shirts
Partway through with rationalization of different integ...
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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
before I make any other mistakes . . .
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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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2009-09-19
Michael Shirts
About to make more drastic changes to try to fix conser...
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2009-09-18
Michael Shirts
A number of changes to try to rationalize constraints...
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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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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-10
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-09
Erik Lindahl
Support for parallel (node-crossing) constraints with...
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2009-06-17
Berk Hess
implemented force constraining that work together with...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-02-02
hess
changed most step count variables from int to gmx_step_t
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2008-12-01
hess
moved the merging of the F_CONSTRNC ilist into the...
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2008-09-16
hess
fixed incorrect constraining causing crashes with DD...
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2008-08-12
hess
introced a new structure for the local topology in...
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2008-08-11
hess
added virial calculation for velocities and forces...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-07-28
hess
removed the global indices for the lincs code, now...
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2008-07-01
carsten
Added a pointer to the edsam and state data structure...
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2008-03-18
hess
The PME grid is now automatically enlarged when it...
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2008-02-19
hess
shakefirst now calls constrain directly (no longer...
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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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2008-02-01
hess
made SHAKE within charge groups work with domain decomp...
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2008-01-24
hess
implemented automated LINCS distance limit for the...
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2008-01-10
hess
implemented constraint with all minimizers and with...
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2008-01-03
hess
merged the pull calls into do_force() and constrain...
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2007-11-22
hess
enabled flexible constraint to be used together with...
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2007-08-10
hess
added an extra LINCS expansion for only the constraint...
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2007-08-01
hess
removed the count_constraints function
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2007-07-13
hess
mdrun now only writes a log file on the master node...
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2007-04-02
hess
abstracted away the constraint and lincs data types
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2007-03-30
hess
complete rewrite of the pull code, now works in paralle...
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2006-12-08
hess
added a parameter to the constrain call for toggling...
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2006-10-16
hess
changed the velocity constraining from positional diffe...
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2006-04-06
hess
removed the static settle data in low_constrain
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2006-04-05
hess
implemented parallel LINCS
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2006-01-26
hess
allowed cr=NULL to be passed to init_constraits
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2005-06-21
hess
lincs now skips flexible constraint when doing EM
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2005-06-17
hess
introduced an t_lincsdata struct to structure the lincs...
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2005-03-11
hess
Huge constraint virial fix: moved the constraint virial...
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2005-03-07
hess
LINCS now works with pbc=full
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2004-12-26
lindahl
Deprecated Fortran versions of LINCS/SETTLE/SHAKE.
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2003-11-17
spoel
Upped the version to 3.2.0
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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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2002-01-11
spoel
Passed down error messages from shake to md.c to be...
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