biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Redefine the default boolean type to gmx_bool.
[alexxy/gromacs.git]
/
src
/
mdlib
/
genborn.c
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
blob
|
commitdiff
|
raw
2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-21
Erik Lindahl
Double precision SSE2 kernels for Generalized Born...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-19
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Erik Lindahl
Updated GB SSE2 kernels, testing in progress now...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-18
Erik Lindahl
Fix to write GB and surface energy to separate terms...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-12
Erik Lindahl
Added double precision SSE2 generalized born kernels...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-02
Erik Lindahl
Temporarily disabled double precision SSE2 generalized...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-26
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-26
Erik Lindahl
Added files in preparation of double-precision AllvsAll...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-23
Berk
hopefully fixed the genborn allocation issue
blob
|
commitdiff
|
raw
|
diff to current
2010-07-12
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-12
David van der Spoel
Added initialization of pbc struct in genborn.c.
blob
|
commitdiff
|
raw
|
diff to current
2010-07-10
Michael Shirts
Fixed minor formatting conflict.
blob
|
commitdiff
|
raw
|
diff to current
2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-03
David van der Spoel
Fixed include statements such that double precision...
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-02
Sander Pronk
Fixed missing prototype in genborn.c
blob
|
commitdiff
|
raw
|
diff to current
2010-06-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-06-18
Per Larsson
Changed erroneous #define DOUBLE to #define GMX_DOUBLE
blob
|
commitdiff
|
raw
|
diff to current
2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-11
Sander Pronk
Fixed another batch of // comments.
blob
|
commitdiff
|
raw
|
diff to current
2010-06-10
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-10
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Per Larsson
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Per Larsson
Changed loop index from ai to i in calc_gb_chainrule
blob
|
commitdiff
|
raw
|
diff to current
2010-06-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-01
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-01
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-06-01
Berk Hess
fixed two GB bugs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-19
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-17
Berk Hess
fixed some genborn include file details
blob
|
commitdiff
|
raw
|
diff to current
2010-04-27
Berk Hess
resolved merge conflicts
blob
|
commitdiff
|
raw
|
diff to current
2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-24
Per Larsson
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-24
Per Larsson
Bug-fixes when using gb and kernels in nb_kernel_sse2_s...
blob
|
commitdiff
|
raw
|
diff to current
2010-03-15
kasson
Changed Generalized Born scaling to use epsilon_r for...
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
blob
|
commitdiff
|
raw
|
diff to current
2010-02-18
Berk
removed some double initialization code in mdrun
blob
|
commitdiff
|
raw
|
diff to current
2010-01-27
Berk Hess
fixed two bugs introduced in the previous commit of...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-26
Per Larsson
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-26
Per Larsson
Simplified neighborlist setup with GB and enroute to...
blob
|
commitdiff
|
raw
|
diff to current
2010-01-26
Berk Hess
added missing nblist initializations
blob
|
commitdiff
|
raw
|
diff to current
2010-01-22
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-21
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-01-20
Per Larsson
Fixed an error in memory allocation in the GB code...
blob
|
commitdiff
|
raw
|
diff to current
2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-05
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-02
Berk Hess
Merge commit 'origin/master' into 2dpme
blob
|
commitdiff
|
raw
|
diff to current
2009-12-02
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-01
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-12-01
Roland Schulz
union instead of two pointers to same address (brakes...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-12
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-09
Erik Lindahl
New all-vs-all loops and working SSE gb kernels+radii...
blob
|
commitdiff
|
raw
|
diff to current
2009-09-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-31
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-31
Erik Lindahl
Changes to have GB detect 1-2,1-3,1-4 params from exclu...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-31
Per Larsson
Fixed a typo in the GB chainrule shifted forces
blob
|
commitdiff
|
raw
|
diff to current
2009-08-31
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-31
Sander Pronk
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-31
Berk Hess
fixed memory overallocation in genborn.c
blob
|
commitdiff
|
raw
|
diff to current
2009-08-30
kasson
Tool merge
blob
|
commitdiff
|
raw
|
diff to current
2009-08-30
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-28
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-28
Per Larsson
Shift forces are now updated correctly with GB
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
Per Larsson
Added support for pbc with GB
blob
|
commitdiff
|
raw
|
diff to current
2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-26
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-26
Erik Lindahl
Changed invsqrt() to gmx_invsqrt() to accuracy loss...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-26
Berk Hess
added shifts to the GB neighbor lists
blob
|
commitdiff
|
raw
|
diff to current
2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-19
Sander Pronk
removed *s files, improved cmake/configure thread detection
blob
|
commitdiff
|
raw
|
diff to current
2009-08-19
Sander Pronk
Added full thread_mpi library, it may even compile...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-13
Per Larsson
Fixed a few compiler warnings in genborn.c
blob
|
commitdiff
|
raw
|
diff to current
2009-08-13
Per Larsson
Forgot to remove a debug printf()-statement
blob
|
commitdiff
|
raw
|
diff to current
2009-08-13
Per Larsson
Added support for analytic GB calculation for bonded...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-11
Per Larsson
pdated the double precision GB code to work more effici...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-11
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-11
Per Larsson
Updated the double precision GB code to work more effic...
blob
|
commitdiff
|
raw
|
diff to current
2009-08-04
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-08-03
Berk Hess
changed the twin-range integrator to a symplectic Trott...
blob
|
commitdiff
|
raw
|
diff to current
next