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Use more const in hardwaretopology
[alexxy/gromacs.git]
/
docs
/
2018-08-28
boristim
Updates to gmx cluster
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commitdiff
2018-08-28
Roland Schulz
Add hard limit for line length
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commitdiff
2018-08-28
Paul Bauer
Fix documentation build without imagemagick
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commitdiff
2018-08-27
Paul Bauer
Transfer information from old how-to section
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commitdiff
2018-08-24
Berk Hess
Merge "Merge branch release-2018"
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commitdiff
2018-08-24
Mark Abraham
Merge branch release-2018
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commitdiff
2018-08-23
Paul Bauer
Update to prepare for 2018.4 point release
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commitdiff
2018-08-23
Paul Bauer
Version 2018.3
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commitdiff
2018-08-22
Paul Bauer
Fix trjconv when running without a structure file
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commitdiff
2018-08-22
Berk Hess
Fix missing interactions with GPU and DD
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commitdiff
2018-08-22
Mark Abraham
Permit PME on GPUs only for dynamical integrators
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commitdiff
2018-08-21
Szilárd Páll
Request flushing denorms to zero in OpenCL
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commitdiff
2018-08-21
Berk Hess
Ensure domains are large enough for atom motion
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commitdiff
2018-08-21
Berk Hess
Fixed mdrun segv with QM/MM ONIOM scheme
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commitdiff
2018-08-20
Berk Hess
Fix Verlet buffer estimate with BD
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commitdiff
2018-08-20
Berk Hess
Fix assertion failure in CG
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commitdiff
2018-08-18
Berk Hess
Add check for pull group PBC to grompp
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commitdiff
2018-08-18
Roland Schulz
clang-tidy: google tests applicable
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commitdiff
2018-08-18
Roland Schulz
Enable clang tidy/warnings for tests
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commitdiff
2018-08-14
Paul Bauer
Updated links in user guide
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commitdiff
2018-08-13
Roland Schulz
Remove cppcheck
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commitdiff
2018-08-12
Roland Schulz
Add _real user defined literal
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commitdiff
2018-08-10
Kevin Boyd
Added physical validation document to the dev manual.
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commitdiff
2018-08-08
M. Eric Irrgang
Enable ccache compiler wrapper when available.
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commitdiff
2018-08-07
M. Eric Irrgang
Add some developer help to Developer Guide.
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commitdiff
2018-08-07
Paul Bauer
Remove duplicate entry for Doxygen from dev manual
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commitdiff
2018-08-07
Christian Blau
Local atom sets in compEL / ion swapping code.
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commitdiff
2018-08-01
Paul Bauer
Fix -skip option for gmx rms
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commitdiff
2018-07-30
Mark Abraham
Fix CG with multiple domains
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commitdiff
2018-07-30
Paul Bauer
Fix bfactor output
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commitdiff
2018-07-29
Szilárd Páll
Corrections to the user guide mdrun perf section
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commitdiff
2018-07-24
Paul Bauer
Change manual section on restarts w/o checkpoint
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commitdiff
2018-07-16
Mark Abraham
Updated infrastructure for comparing mdrun output in...
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commitdiff
2018-07-16
Mark Abraham
Replacement for pdb2gmx tests
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commitdiff
2018-07-12
Roland Schulz
Require ICC 17.0.1
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commitdiff
2018-07-12
Mark Abraham
Bump minimum MSVC version to 2017
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commitdiff
2018-07-06
Mark Abraham
Merge "Merge release-2018 into master"
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commitdiff
2018-07-04
Roland Schulz
Merge release-2018 into master
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commitdiff
2018-06-29
Roland Schulz
clang-tidy: Enable bugprone-integer-division
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commitdiff
2018-06-29
Roland Schulz
Add clang-tidy to pre-submit
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commitdiff
2018-06-14
Mark Abraham
Updated to prepare for 2018.3 release
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commitdiff
2018-06-14
Mark Abraham
Version 2018.2
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commitdiff
2018-06-14
Kevin Boyd
Changed documentation on common errors during minimization
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commitdiff
2018-06-13
Mark Abraham
Fixed documentation typo
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commitdiff
2018-06-13
Mark Abraham
Bump lmfit support to version 7
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commitdiff
2018-06-12
Mark Abraham
Prepare for GROMACS 2019 release notes
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commitdiff
2018-06-12
Szilárd Páll
Also issue OMP_NUM_THREADS reading note to the log
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commitdiff
2018-06-12
Viveca Lindahl
Changed histogram check interval for multidimensional...
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commitdiff
2018-06-12
Berk Hess
Add fatal error for inconsistent graph
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commitdiff
2018-06-12
Berk Hess
Avoid COM removal moving frozen atoms
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commitdiff
2018-06-12
Berk Hess
Remove constraint v correction for frozen atoms
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commitdiff
2018-06-08
Paul Bauer
Fix gmx solvate with multiple solvent molecule types
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commitdiff
2018-06-06
Berk Hess
Fix MPI inconsistency in EM after constraint failure
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commitdiff
2018-06-06
Kevin Boyd
Added to PME on GPU information in mdrun performance
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commitdiff
2018-06-06
Erik Lindahl
Use default CMake path variables
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commitdiff
2018-06-06
Paul Bauer
Fix PQR file output
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commitdiff
2018-06-06
Erik Lindahl
Bump GMX_BUILD_OWN_FFTW to 3.3.8 to avoid bugs
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commitdiff
2018-06-05
Mark Abraham
Fixed enemat when .edr had no matching energy groups
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commitdiff
2018-06-01
Kevin Boyd
Cosmetic fixes to mdp documentation
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commitdiff
2018-05-31
Aleksei Iupinov
Prefer linking to system clFFT rather than bundled one
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commitdiff
2018-05-30
Paul Bauer
Disallow use of empty box information in solvent files
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commitdiff
2018-05-23
Roland Schulz
Rename GMX_OCL_CLUSTER_SIZE to GMX_OCL_NB_CLUSTER_SIZE
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commitdiff
2018-05-23
Kevin Boyd
Removed "XXX non-matching atom names" Martini statement.
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commitdiff
2018-05-22
Kevin Boyd
Cosmetic documentation changes
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commitdiff
2018-05-22
Aleksei Iupinov
Remove unused results of cudaStreamQuery()
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commitdiff
2018-05-22
Kevin Boyd
Minor fixes to mdrun performance documentation
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commitdiff
2018-05-04
Mark Abraham
Merge "Merge branch release-2018"
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commitdiff
2018-05-03
Mark Abraham
Merge branch release-2018
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commitdiff
2018-05-03
Berk Hess
Enable SIMD version of update
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commitdiff
2018-04-26
Paul Bauer
Reorganize files for reference manual
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commitdiff
2018-04-26
Paul Bauer
Split up analysis chapter in reference manual
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commitdiff
2018-04-26
Szilárd Páll
Bump required CUDA version to 7.0
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commitdiff
2018-04-26
Paul Bauer
Split up special topics section in manual
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commitdiff
2018-04-26
Paul Bauer
Split up topology section in manual
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commitdiff
2018-04-26
Paul Bauer
Split up algorithms manual page
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commitdiff
2018-04-25
Paul Bauer
Add page breaks in reference manual
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commitdiff
2018-04-25
Paul Bauer
Split up Interaction functions manual page
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commitdiff
2018-04-25
Paul Bauer
Change image conversion to only be build once
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commitdiff
2018-04-21
Paul Bauer
Convert manual from LaTeX to Markup
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commitdiff
2018-04-21
Paul Bauer
Second change tracking commit
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commitdiff
2018-04-21
Paul Bauer
Intermediate commit to track changes to manual
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commitdiff
2018-04-13
Mark Abraham
Merge branch release-2018
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commitdiff
2018-04-13
Mark Abraham
Clean up constraints code
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commitdiff
2018-04-10
Aleksei Iupinov
Prevent OpenCL timing memory leak
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commitdiff
2018-04-10
Viveca Lindahl
Minor text edits and fix of broken link in user guide.
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commitdiff
2018-04-05
Mark Abraham
Create gromacs/mdrun module and move code there
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commitdiff
2018-04-03
Mark Abraham
Remove leftover mention of twin-range scheme
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commitdiff
2018-04-03
Mark Abraham
Merge "Merge branch release-2018"
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commitdiff
2018-04-03
Berk Hess
Change warninp filenm to std::string
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commitdiff
2018-03-28
Mark Abraham
Merge branch release-2018
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commitdiff
2018-03-27
Mark Abraham
Clarified mdp options relating to bonds
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commitdiff
2018-03-22
Mark Abraham
Updated to prepare for 2018.2 release
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commitdiff
2018-03-21
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
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commitdiff
2018-03-21
Mark Abraham
Update release notes for 2018.1
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commitdiff
2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2018-03-20
Aleksei Iupinov
Clarify the mdrun GPU options docs
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commitdiff
2018-03-15
Berk Hess
Fix virial with external pull potential and MPI
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commitdiff
2018-03-14
Berk Hess
Fix pull bug with geometry=direction-periodic
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commitdiff
2018-03-13
Berk Hess
Add AWH fixes to release notes
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commitdiff
2018-03-13
Szilárd Páll
Require OpenCL 1.2
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