biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Remove Options::isSet()
[alexxy/gromacs.git]
/
src
/
2015-07-25
Teemu Murtola
Remove Options::isSet()
tree
|
commitdiff
2015-07-25
Teemu Murtola
Add basic grouping to Options
tree
|
commitdiff
2015-07-25
Teemu Murtola
Extract IOptionsContainer from Options
tree
|
commitdiff
2015-07-24
Mark Abraham
Merge branch release-5-1
tree
|
commitdiff
2015-07-24
Rossen Apostolov
Converted correlationfuntcions to C++.
tree
|
commitdiff
2015-07-24
Teemu Murtola
Rename trnio routines
tree
|
commitdiff
2015-07-24
Teemu Murtola
Rename trnio.* to trrio.*
tree
|
commitdiff
2015-07-23
Teemu Murtola
Split espresso I/O routines from confio.cpp
tree
|
commitdiff
2015-07-22
Teemu Murtola
Split gro I/O routines from confio.cpp
tree
|
commitdiff
2015-07-22
Teemu Murtola
Split g96 I/O routines from confio.cpp
tree
|
commitdiff
2015-07-22
Teemu Murtola
Move read_tps_conf() to confio.h
tree
|
commitdiff
2015-07-22
Teemu Murtola
Add basic tests for reading/writing structure files
tree
|
commitdiff
2015-07-20
Teemu Murtola
Merge release-5-0 into release-5-1
tree
|
commitdiff
2015-07-19
Mark Abraham
Update advice about grompp -t
tree
|
commitdiff
2015-07-18
Teemu Murtola
Move Options::setDescription() elsewhere
tree
|
commitdiff
2015-07-18
Teemu Murtola
Change naming convention for C++ interfaces
tree
|
commitdiff
2015-07-17
Carlo Camilloni
Fixed gmx sasa output residue numbering
tree
|
commitdiff
2015-07-17
Erik Lindahl
Moved statistics source to C++
tree
|
commitdiff
2015-07-17
Erik Lindahl
Fixed static analyzer warnings
tree
|
commitdiff
2015-07-17
Erik Lindahl
Fix incorrect warning about only using single core
tree
|
commitdiff
2015-07-16
Alexey Shvetsov
Fix build failure in view/filter.cpp
tree
|
commitdiff
2015-07-15
James W. Barnett
Implement zsh shell completions.
tree
|
commitdiff
2015-07-14
Erik Lindahl
Move fileio sources to C++
tree
|
commitdiff
2015-07-14
Mark Abraham
Converted gmxpreprocess to compile as C++
tree
|
commitdiff
2015-07-14
Erik Lindahl
Move remaining C files in utility to C++
tree
|
commitdiff
2015-07-11
Roland Schulz
Update kernel templates to match kernels
tree
|
commitdiff
2015-07-10
Erik Lindahl
Use cmakedefine01 for more trivial defines
tree
|
commitdiff
2015-07-10
Erik Lindahl
Moved tools files to C++
tree
|
commitdiff
2015-07-10
Teemu Murtola
More gmxfio simplification
tree
|
commitdiff
2015-07-09
Teemu Murtola
Fix -deffnm -multi[dir]
tree
|
commitdiff
2015-07-09
Erik Lindahl
Merge "Merge release-5-1 into master"
tree
|
commitdiff
2015-07-08
Roland Schulz
Merge release-5-1 into master
tree
|
commitdiff
2015-07-08
Roland Schulz
Merge release-5-0 into release-5-1
tree
|
commitdiff
2015-07-08
Erik Lindahl
Move generalized born to C++
tree
|
commitdiff
2015-07-08
Erik Lindahl
Move FFT defines to use cmakedefine01
tree
|
commitdiff
2015-07-08
Mark Abraham
Give bTypePerturbed a valid initial value
tree
|
commitdiff
2015-07-08
Berk Hess
Separated bonded and Ewald correction threading
tree
|
commitdiff
2015-07-08
Erik Lindahl
Move endian, float format and XDR settings to cmakedefine01
tree
|
commitdiff
2015-07-08
Mark Abraham
Fix grompp .edr IO estimate for free-energy calcs
tree
|
commitdiff
2015-07-08
Erik Lindahl
Cleanup and remove unused SSE2 generalized born code
tree
|
commitdiff
2015-07-08
Roland Schulz
Merge release-4-6 into release-5-0
tree
|
commitdiff
2015-07-08
Erik Lindahl
Move old neighborsearch code to C++
tree
|
commitdiff
2015-07-07
Erik Lindahl
Move QMMM source to C++
tree
|
commitdiff
2015-07-07
Teemu Murtola
Wrap uses of thread_mpi/mutex.h
tree
|
commitdiff
2015-07-06
Berk Hess
Fix too small GPU pair count estimates
tree
|
commitdiff
2015-07-06
Berk Hess
Fix bug in GPU list balancing
tree
|
commitdiff
2015-07-05
Teemu Murtola
Improve gmx help -export Sphinx rebuild behavior
tree
|
commitdiff
2015-07-05
Berk Hess
Fix DD DLB state issue
tree
|
commitdiff
2015-07-05
Berk Hess
Fix bug in GPU list balancing
tree
|
commitdiff
2015-07-04
Teemu Murtola
Fix error wrapping in interactive selection input
tree
|
commitdiff
2015-07-04
Teemu Murtola
Tests for interactive selection input
tree
|
commitdiff
2015-07-04
Teemu Murtola
Fix copy-paste bug in gmx distance
tree
|
commitdiff
2015-07-04
Teemu Murtola
Refactor for testing interactive selection input
tree
|
commitdiff
2015-07-04
Teemu Murtola
Remove gmx::File (except for File::exists())
tree
|
commitdiff
2015-07-04
Teemu Murtola
Replace direct uses of gmx::File with streams
tree
|
commitdiff
2015-07-04
Teemu Murtola
Make some unit tests use mock file output
tree
|
commitdiff
2015-07-04
Berk Hess
Obey OpenMP thread count limit with tMPI
tree
|
commitdiff
2015-07-04
Berk Hess
Fix two PME DLB trigger issues
tree
|
commitdiff
2015-07-03
Mark Abraham
Fix ThreadMPI GPU assumptions
tree
|
commitdiff
2015-07-03
Berk Hess
Correct grompp pull warning message
tree
|
commitdiff
2015-07-02
Teemu Murtola
Convert gmxfio to C++
tree
|
commitdiff
2015-07-02
Szilard Pall
Fix OpenCL compilation errors.
tree
|
commitdiff
2015-07-02
Teemu Murtola
Clean up gmxfio includes
tree
|
commitdiff
2015-07-02
Teemu Murtola
Reorder code within gmxfio
tree
|
commitdiff
2015-07-02
Teemu Murtola
Further gmxfio cleanup related to xdr handling
tree
|
commitdiff
2015-07-02
Teemu Murtola
Minor include sorting changes
tree
|
commitdiff
2015-07-01
Teemu Murtola
Clean up unused code from gmxfio
tree
|
commitdiff
2015-06-30
Berk Hess
Fix inconsistent OpenMP automation
tree
|
commitdiff
2015-06-30
Mark Abraham
Avoid GPU data race also with OpenCL
tree
|
commitdiff
2015-06-30
Berk Hess
enabled 1 PP + 1 PME node
tree
|
commitdiff
2015-06-30
Berk Hess
Add checks for inefficient resource usage
tree
|
commitdiff
2015-06-30
Mark Abraham
Add support for flushing WDDM queue
tree
|
commitdiff
2015-06-29
Mark Abraham
Merge "Merge branch release-5-0"
tree
|
commitdiff
2015-06-29
Erik Lindahl
Fix OS X openCL builds
tree
|
commitdiff
2015-06-29
Erik Lindahl
Fix bugs in gmx dos
tree
|
commitdiff
2015-06-29
Erik Lindahl
Replace functions deprecated in OpenCL 1.2
tree
|
commitdiff
2015-06-29
Teemu Murtola
Only accept exact matches for selection keywords
tree
|
commitdiff
2015-06-29
Mark Abraham
Merge branch release-5-0
tree
|
commitdiff
2015-06-29
Mark Abraham
Merge release-4-6 into release-5-0
tree
|
commitdiff
2015-06-29
anca
Implement OpenCL support
tree
|
commitdiff
2015-06-29
Mark Abraham
Add MSAN build type
tree
|
commitdiff
2015-06-29
Erik Lindahl
Fix bug removing multiple dihedrals in main rtp entries
tree
|
commitdiff
2015-06-29
Mark Abraham
Fix all use of nbnxn_simd.h
tree
|
commitdiff
2015-06-29
Teemu Murtola
Make some unit tests skip file system access
tree
|
commitdiff
2015-06-29
Erik Lindahl
Removed gmx protonate tool
tree
|
commitdiff
2015-06-29
Berk Hess
Improve DLB+PME tuning with GPUs
tree
|
commitdiff
2015-06-29
Szilard Pall
Fix CUDA inter-stream synchronization issue
tree
|
commitdiff
2015-06-28
Erik Lindahl
Fix double precision reference SIMD and gcc bug
tree
|
commitdiff
2015-06-28
Erik Lindahl
Fix one error and compiler warnings with Cuda & clang-3.6
tree
|
commitdiff
2015-06-28
Peter Kasson
Append _pullx_ and _pullf to pull files when -deffnm...
tree
|
commitdiff
2015-06-27
Berk Hess
Improve pair search thread load balance
tree
|
commitdiff
2015-06-27
Berk Hess
Improved the intra-GPU load balancing
tree
|
commitdiff
2015-06-27
Szilard Pall
Fix CUDA architecture dependent issues
tree
|
commitdiff
2015-06-27
Erik Lindahl
Fix IBM VSX SIMD compiles with xlc
tree
|
commitdiff
2015-06-27
Berk Hess
Reduce the use of nbnxn_consts.h
tree
|
commitdiff
2015-06-27
Berk Hess
Corrected nstcalclr/nstfep/nst_repl_ex checks
tree
|
commitdiff
2015-06-27
Erik Lindahl
Fix single-prec. softcore issue in 4.6 branch
tree
|
commitdiff
2015-06-27
Erik Lindahl
Merge "Merge release-5-0 into master"
tree
|
commitdiff
2015-06-27
Mark Abraham
Merge release-5-0 into master
tree
|
commitdiff
2015-06-26
Erik Lindahl
Fix compile issues on K computer
tree
|
commitdiff
next