biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Merge "Fix cpack src ignore rule" into release-4-6
2012-11-28
Christoph Junghans
Merge "Fix cpack src ignore rule" into release-4-6
commit
|
commitdiff
|
tree
2012-11-28
Christoph Junghans
Add option to internally build FFTW if selected
commit
|
commitdiff
|
tree
2012-11-22
Christoph Junghans
improve FindGROMACS.cmake
commit
|
commitdiff
|
tree
2012-11-20
Christoph Junghans
Merge "Fix g_msd -mol" into release-4-6
commit
|
commitdiff
|
tree
2012-11-20
Christoph Junghans
Merge "Fixes bug in g_hbond that makes it produce fatal...
commit
|
commitdiff
|
tree
2012-11-16
Christoph Junghans
Remove rest of the xml support
commit
|
commitdiff
|
tree
2012-11-15
Christoph Junghans
Merge "Test that compiling and linking of AVX works...
commit
|
commitdiff
|
tree
2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detection...
commit
|
commitdiff
|
tree
2012-11-08
Christoph Junghans
Merge "Relocated logic of simple-vs-GPU Ewald table...
commit
|
commitdiff
|
tree
2012-11-07
Christoph Junghans
Obey DSO standard
commit
|
commitdiff
|
tree
2012-11-03
Christoph Junghans
Reworked version of cmake FFTW detection
commit
|
commitdiff
|
tree
2012-11-01
Christoph Junghans
Actually disable GPU when compiling in double
commit
|
commitdiff
|
tree
2012-10-27
Christoph Junghans
Merge "Fix large file support" into release-4-5-patches
commit
|
commitdiff
|
tree
2012-10-26
Christoph Junghans
Merge "enable GMX_PREFER_STATIC_LIBS CMake option on...
commit
|
commitdiff
|
tree
2012-10-26
Christoph Junghans
Merge "fix false positive gcc 4.7 warning in libxdrf...
commit
|
commitdiff
|
tree
2012-10-10
Christoph Junghans
fixed header for 3rd party apps
commit
|
commitdiff
|
tree
2012-09-27
Christoph Junghans
Merge "Fixed an off-by-one error in atom counting in...
commit
|
commitdiff
|
tree
2012-09-25
Christoph Junghans
Merge "Fix REMD use of gmx_large_int_t for #steps variable...
commit
|
commitdiff
|
tree
2012-09-14
Christoph Junghans
Merge "fixed recent bug with grompp check for P-R P...
commit
|
commitdiff
|
tree
2012-09-10
Christoph Junghans
updated references
commit
|
commitdiff
|
tree
2012-09-07
Christoph Junghans
Merge "Fix VMD plugins on Windows" into release-4-6
commit
|
commitdiff
|
tree
2012-09-07
Christoph Junghans
Merge "Check that gmx_detectcpu runs correctly" into...
commit
|
commitdiff
|
tree
2012-09-04
Christoph Junghans
Merge "Fixes too many backup files for *.nroff files...
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
Merge "Fixing of things associated with aminoacid.rtp...
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
Merge "Clean up some variable naming for eigensolving...
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
Merge "Fix coordinate is zero check in gmxcheck" into...
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
Merge "Explicitly noted an issue with use of genbox...
commit
|
commitdiff
|
tree
2012-08-13
Christoph Junghans
fix AdResS and long-range electrostatics warning
commit
|
commitdiff
|
tree
2012-08-07
Christoph Junghans
Merge "fixed incorrect TPI results with dynamic box...
commit
|
commitdiff
|
tree
2012-08-06
Christoph Junghans
Merge "Added comment in get_structure about which structures...
commit
|
commitdiff
|
tree
2012-08-02
Christoph Junghans
Add note about SD integrator and t-coupling
commit
|
commitdiff
|
tree
2012-07-31
Christoph Junghans
Merge "Clarified reasons for termination of EM" into...
commit
|
commitdiff
|
tree
2012-07-19
Christoph Junghans
cmake: allow switch between single and double
commit
|
commitdiff
|
tree
2012-07-16
Christoph Junghans
Merge "Removed commas from gmx_hbond OpenMP constructs...
commit
|
commitdiff
|
tree
2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
commit
|
commitdiff
|
tree
2012-07-09
Christoph Junghans
Merge "Fixed bug in sfactor.c that makes g_rdf -sq...
commit
|
commitdiff
|
tree
2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
commit
|
commitdiff
|
tree
2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
commit
|
commitdiff
|
tree
2012-07-05
Christoph Junghans
Merge "Finalized and extended Szilard's openMP cleanup...
commit
|
commitdiff
|
tree
2012-07-02
Christoph Junghans
Do not print disabled pressures and virials
commit
|
commitdiff
|
tree
2012-06-29
Christoph Junghans
Add FindGROMACS.cmake to template's CMakeLists.txt
commit
|
commitdiff
|
tree
2012-06-28
Christoph Junghans
Fixed adress kernel for double precision
commit
|
commitdiff
|
tree
2012-06-28
Christoph Junghans
Merge "Fix MPI build for MPI library without mpi wrapper...
commit
|
commitdiff
|
tree
2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
commit
|
commitdiff
|
tree
2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into release-4-6
commit
|
commitdiff
|
tree
2012-06-19
Christoph Junghans
Merge "Quiet linker on BlueGene" into release-4-5-patches
commit
|
commitdiff
|
tree
2012-06-18
Christoph Junghans
Merge "Fix g_lie counting last frame twice" into release...
commit
|
commitdiff
|
tree
2012-06-15
Christoph Junghans
Merge "Work around failure of endianness testing on...
commit
|
commitdiff
|
tree
2012-06-08
Christoph Junghans
Merge "Added more suggested strategies to error message...
commit
|
commitdiff
|
tree
2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into release-4-6
commit
|
commitdiff
|
tree
2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
commit
|
commitdiff
|
tree
2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Continuing to fix threading on Cygwin" into...
commit
|
commitdiff
|
tree
2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
commit
|
commitdiff
|
tree
2012-05-09
Christoph Junghans
Merge "Backporting "moving membed to mdrun" from master...
commit
|
commitdiff
|
tree
2012-04-23
Christoph Junghans
Merge "compiler flag fixes" into release-4-6
commit
|
commitdiff
|
tree
2012-04-12
Christoph Junghans
Reworked FindFFTW.cmake
commit
|
commitdiff
|
tree
2012-04-09
Christoph Junghans
Merge "Documentation and error message enhancements...
commit
|
commitdiff
|
tree
2012-04-09
Christoph Junghans
Merge "Consolidated documentation of .mdp restraint...
commit
|
commitdiff
|
tree
2012-03-28
Christoph Junghans
Merge "Resolving clang analyzer warnings in analysis...
commit
|
commitdiff
|
tree
2012-03-18
Christoph Junghans
Merge "Warnings against equilibrating with P-R P-coupling...
commit
|
commitdiff
|
tree
2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
commit
|
commitdiff
|
tree
2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
commit
|
commitdiff
|
tree
2012-03-12
Christoph Junghans
Merge "More editorial fixes to tool documentation"...
commit
|
commitdiff
|
tree
2012-03-08
Christoph Junghans
Make finite checks remember theirs results
commit
|
commitdiff
|
tree
2012-03-08
Christoph Junghans
Improve FindFFTW
commit
|
commitdiff
|
tree
2012-02-21
Christoph Junghans
Merge "changed default epsilon-rf value to 0" into...
commit
|
commitdiff
|
tree
2012-02-15
Christoph Junghans
Removed FFTw2 support
commit
|
commitdiff
|
tree
2012-02-10
Christoph Junghans
Merge "Fixed bug with COM motion removal on part of...
commit
|
commitdiff
|
tree
2012-02-10
Christoph Junghans
Cmake: unite FindFFTW3* into one file
commit
|
commitdiff
|
tree
2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initializati...
commit
|
commitdiff
|
tree
2012-02-01
Christoph Junghans
initialize adress_do_hybridpairs=FALSE by default
commit
|
commitdiff
|
tree
2012-02-01
Christoph Junghans
Merge "Fix signed/unsigned warnings" into release-4...
commit
|
commitdiff
|
tree
2012-01-25
Christoph Junghans
make gromacs manual build again
commit
|
commitdiff
|
tree
2012-01-23
Christoph Junghans
document AdResS mdp options
commit
|
commitdiff
|
tree
2012-01-15
Christoph Junghans
Merge "Added CMake Toolchain file for BlueGene/P" into...
commit
|
commitdiff
|
tree
2012-01-14
Christoph Junghans
CMake improvements
commit
|
commitdiff
|
tree
2012-01-10
Christoph Junghans
Adds AdResS feature to gromacs
commit
|
commitdiff
|
tree
2012-01-04
Christoph Junghans
Merge "Documented the function of g_cluster -cl -noav...
commit
|
commitdiff
|
tree
2011-12-19
Christoph Junghans
Set GMX_*_ASM true if GMX_ACCELERATION != auto
commit
|
commitdiff
|
tree
2011-11-08
Christoph Junghans
Merge "Fixed bug #830 (segv in do_dssp)" into release...
commit
|
commitdiff
|
tree
2011-10-20
Christoph Junghans
Merge "Changed default value for g_anaeig -last to...
commit
|
commitdiff
|
tree
2011-10-20
Christoph Junghans
Merge "Fixes for GB kernel" into release-4-5-patches
commit
|
commitdiff
|
tree
2011-10-20
Christoph Junghans
Merge "Add CMakeLists.txt.user to gitignore" into release-4-6
commit
|
commitdiff
|
tree
2011-10-15
Christoph Junghans
Merge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6
commit
|
commitdiff
|
tree
2011-07-01
Christoph Junghans
dl lib was missing in libgmx.pc if GMX_DLOPEN is enabled
commit
|
commitdiff
|
tree
2011-06-16
Christoph Junghans
cmake: rename LIB to GMXLIB to avoid conflict with...
commit
|
commitdiff
|
tree
2011-06-09
Christoph Junghans
Merge branch 'release-4-5-patches' of git://git.gromacs...
commit
|
commitdiff
|
tree
2011-06-09
Christoph Junghans
Added a comment where bPhobics comes from
commit
|
commitdiff
|
tree
2011-06-08
Christoph Junghans
removed duplicated bPhobics function (thx to Francois...
commit
|
commitdiff
|
tree
2011-06-08
Christoph Junghans
cmake: remove selection/test* from gmxlib sources
commit
|
commitdiff
|
tree
2011-03-03
Christoph Junghans
fixed a typo in cmake pkg-config files
commit
|
commitdiff
|
tree
2011-01-23
Christoph Junghans
cmake: added GMX_XML to fully disable xml support
commit
|
commitdiff
|
tree
2011-01-23
Christoph Junghans
cmake: add support for external blas/lapack
commit
|
commitdiff
|
tree
2010-12-10
Christoph Junghans
Fixed wrong path ordering in GMX.bash introduced in...
commit
|
commitdiff
|
tree
2010-11-29
Christoph Junghans
GMXRC.* - fixed bug #614
commit
|
commitdiff
|
tree
2010-11-29
Christoph Junghans
added power6 flags from Markus Rampp
commit
|
commitdiff
|
tree
2010-11-24
Christoph Junghans
configure: build shared libs unless mpi enabled (bug...
commit
|
commitdiff
|
tree
2010-10-08
Christoph Junghans
CMake: another fortran fix
commit
|
commitdiff
|
tree
2010-10-06
Christoph Junghans
CMake: fortran fix
commit
|
commitdiff
|
tree
next