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
/
kernel
/
topio.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
2010-08-22
Erik Lindahl
Replaced all occurences of str(n)casecmp with gmx_str...
blob
|
commitdiff
|
raw
|
diff to current
2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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
2010-08-17
Roland Schulz
Use always DIR_SEPARATOR
blob
|
commitdiff
|
raw
|
diff to current
2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-07-29
Berk
changed FE couple moltype strcmp to strcasecmp
blob
|
commitdiff
|
raw
|
diff to current
2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
blob
|
commitdiff
|
raw
|
diff to current
2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-05-07
Berk Hess
made grompp charge warning less sensitive to rounding...
blob
|
commitdiff
|
raw
|
diff to current
2010-04-27
Berk Hess
resolved merge conflicts
blob
|
commitdiff
|
raw
|
diff to current
2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Berk Hess
moved all global variables for input file checking...
blob
|
commitdiff
|
raw
|
diff to current
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
blob
|
commitdiff
|
raw
|
diff to current
2010-03-01
Berk Hess
split off warninp.c with input reading warning routines...
blob
|
commitdiff
|
raw
|
diff to current
2010-02-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2010-02-04
Berk Hess
fixed a memory leak in grompp cmap reading
blob
|
commitdiff
|
raw
|
diff to current
2009-10-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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
2009-09-18
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
blob
|
commitdiff
|
raw
|
diff to current
2009-09-18
Berk Hess
added more options for free-energy molecule coupling
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
Sander Pronk
Made former atoi (atoi is not thread-safe) strtols...
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
2009-08-30
kasson
Tool merge
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
2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
blob
|
commitdiff
|
raw
|
diff to current
2009-07-04
Sander Pronk
file names now const correct; builds in C++
blob
|
commitdiff
|
raw
|
diff to current
2009-06-27
Sander Pronk
atoi/atof are not thread-safe: replaced all instances...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-22
Berk Hess
added the repulsion power to the tpr file and added...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
blob
|
commitdiff
|
raw
|
diff to current
2009-06-03
hess
updated for C++ compilation
blob
|
commitdiff
|
raw
|
diff to current
2009-05-26
hess
added check for genpairs with Buckingham
blob
|
commitdiff
|
raw
|
diff to current
2009-05-26
hess
added check for genpairs with Buckingham
blob
|
commitdiff
|
raw
|
diff to current
2009-04-21
lindahl
Initial CMAP support commit.
blob
|
commitdiff
|
raw
|
diff to current
2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
blob
|
commitdiff
|
raw
|
diff to current
2009-03-01
lindahl
"Fixed" const-correctness bugs by simply removing that...
blob
|
commitdiff
|
raw
|
diff to current
2009-01-30
lindahl
Initial commit of generalized born electrostatics....
blob
|
commitdiff
|
raw
|
diff to current
2008-11-10
hess
allowed full qm systems again
blob
|
commitdiff
|
raw
|
diff to current
2008-11-10
hess
allowed full qm systems again
blob
|
commitdiff
|
raw
|
diff to current
2008-09-19
lindahl
Implemented automatic renaming and optional appending...
blob
|
commitdiff
|
raw
|
diff to current
2008-08-07
hess
changed confusing exclusion generation print
blob
|
commitdiff
|
raw
|
diff to current
2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
blob
|
commitdiff
|
raw
|
diff to current
2008-06-12
spoel
Moved new x2top to contrib and renamed to gentop. Reins...
blob
|
commitdiff
|
raw
|
diff to current
2008-05-15
hess
added warning_note to have properly registered notes...
blob
|
commitdiff
|
raw
|
diff to current
2008-03-17
hess
implemented free-energy coupling options in grompp...
blob
|
commitdiff
|
raw
|
diff to current
2008-02-03
spoel
Abstracted the t_atomtype and t_bon_atomtype data types,
blob
|
commitdiff
|
raw
|
diff to current
2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
blob
|
commitdiff
|
raw
|
diff to current
2008-01-04
hess
merged vsite_cog and vsite_com into vsiten
blob
|
commitdiff
|
raw
|
diff to current
2008-01-04
hess
implemented COG and COM vsites
blob
|
commitdiff
|
raw
|
diff to current
2007-09-29
spoel
Fixed bug when top files in another directory were...
blob
|
commitdiff
|
raw
|
diff to current
2007-09-26
spoel
Changed types fro gmxcpp code
blob
|
commitdiff
|
raw
|
diff to current
2007-09-12
hess
added a -zero option for grompp to use zero when no...
blob
|
commitdiff
|
raw
|
diff to current
2007-09-07
spoel
Removed superfluous routine
blob
|
commitdiff
|
raw
|
diff to current
2007-09-05
spoel
Fixed bug in parsing define and include flags
blob
|
commitdiff
|
raw
|
diff to current
2007-09-05
spoel
Fixed bug in topology parsing.
blob
|
commitdiff
|
raw
|
diff to current
2007-08-31
spoel
Merged new processor with read_topol routine. If not...
blob
|
commitdiff
|
raw
|
diff to current
2007-08-30
spoel
Updated: removed cpp option from mdp file and set maxwa...
blob
|
commitdiff
|
raw
|
diff to current
2007-08-30
spoel
Updated version. Now grompp uses the new routines....
blob
|
commitdiff
|
raw
|
diff to current
2006-08-30
spoel
Fixed compilation warnings and errors.
blob
|
commitdiff
|
raw
|
diff to current
2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
blob
|
commitdiff
|
raw
|
diff to current
2006-03-24
hess
implemented proper local topologies for domain decompos...
blob
|
commitdiff
|
raw
|
diff to current
2006-02-28
hess
removed notice about copying A to B when not doing FEP
blob
|
commitdiff
|
raw
|
diff to current
2005-09-20
lindahl
Merged in latest QM/MM changes from release-3-3-patches...
blob
|
commitdiff
|
raw
|
diff to current
2005-09-02
lindahl
Last part of the QM-MM patch.
blob
|
commitdiff
|
raw
|
diff to current
2005-08-29
lindahl
Fixed compiler warnings.
blob
|
commitdiff
|
raw
|
diff to current
2005-06-03
spoel
Added a new polarization type: Thole polarization for...
blob
|
commitdiff
|
raw
|
diff to current
2005-05-11
hess
changed tolerance for total charge warning from 1e...
blob
|
commitdiff
|
raw
|
diff to current
2005-02-02
lindahl
Fixed a bug introduced jan 13:
blob
|
commitdiff
|
raw
|
diff to current
2005-01-13
hess
for combination_rules 2 and 3 nonbonded_params and...
blob
|
commitdiff
|
raw
|
diff to current
2004-12-14
hess
moved check_warning_error call to catch all errors
blob
|
commitdiff
|
raw
|
diff to current
2004-12-14
hess
renamed all dummy/dummies to vsite/vsites in all filena...
blob
|
commitdiff
|
raw
|
diff to current
2004-12-08
hess
changed most grompp warnings about incorrect topology...
blob
|
commitdiff
|
raw
|
diff to current
2004-10-21
hess
fixed problems which caused pairtypes not to work when...
blob
|
commitdiff
|
raw
|
diff to current
2004-09-29
hess
added check for redefinition of moleculetypes, removed...
blob
|
commitdiff
|
raw
|
diff to current
2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
blob
|
commitdiff
|
raw
|
diff to current
2004-08-05
hess
changed non-zero total charge warning to note
blob
|
commitdiff
|
raw
|
diff to current
2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
blob
|
commitdiff
|
raw
|
diff to current
2004-01-21
spoel
Updated force field files and pdb2gmx code to make...
blob
|
commitdiff
|
raw
|
diff to current
2004-01-17
spoel
First real implementation of Urey-Bradley function...
blob
|
commitdiff
|
raw
|
diff to current
2004-01-15
spoel
Added new functions in the bondf code.
blob
|
commitdiff
|
raw
|
diff to current
2003-11-17
spoel
Upped the version to 3.2.0
blob
|
commitdiff
|
raw
|
diff to current
2003-04-14
hess
fixed incorrect system charge check when the same molec...
blob
|
commitdiff
|
raw
|
diff to current
2002-11-06
lindahl
Partial commit of the project to remove all static...
blob
|
commitdiff
|
raw
|
diff to current
2002-06-07
lindahl
Changed atom type renumbering to merge types with ident...
blob
|
commitdiff
|
raw
|
diff to current
2002-05-02
lindahl
Implemented support for separate atom types for bonded...
blob
|
commitdiff
|
raw
|
diff to current
2002-04-23
lindahl
Implemented a fifth and six column to support automatic...
blob
|
commitdiff
|
raw
|
diff to current
2002-04-11
hess
grompp can now parse topologies with atomtypes, nonbond...
blob
|
commitdiff
|
raw
|
diff to current
2002-04-04
hess
added a fatal error for parameters definitions appearin...
blob
|
commitdiff
|
raw
|
diff to current
2002-02-28
spoel
Updated copyrght header
blob
|
commitdiff
|
raw
|
diff to current
2002-01-25
hess
added orientation restraints, extended the energy file...
blob
|
commitdiff
|
raw
|
diff to current
2002-01-16
spoel
Got rid of the tmpnam calls that gcc complains about...
blob
|
commitdiff
|
raw
|
diff to current
next
biod.pnpi.spb.ru / alexxy / gromacs.git / history