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Support hwloc 2.x.x
[alexxy/gromacs.git]
/
docs
/
2018-07-24
Paul Bauer
Change manual section on restarts w/o checkpoint
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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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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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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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commitdiff
2018-03-13
Mark Abraham
Merge "Merge branch release-2018"
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commitdiff
2018-03-06
Szilárd Páll
Extend "Finding out how to run mdrun better" section
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commitdiff
2018-03-06
Mark Abraham
Merge branch release-2018
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commitdiff
2018-03-06
Mark Abraham
Fixed dvdlambda for SHAKE + FE
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commitdiff
2018-03-06
Berk Hess
Make multi-atom TPI reproducible
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commitdiff
2018-03-05
Berk Hess
Work around gcc bug with group kernel tables
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commitdiff
2018-03-02
Berk Hess
Fix AWH bias-sharing with parallel simulation
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commitdiff
2018-03-01
Berk Hess
Detect AMD SMT topology
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commitdiff
2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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commitdiff
2018-02-26
Mark Abraham
Permit define .mdp field to assign values
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commitdiff
2018-02-26
Mark Abraham
Organize for recording 2016-era release notes and add...
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commitdiff
2018-02-19
Mark Abraham
Remove cycle suppression
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commitdiff
2018-02-19
Mark Abraham
Disallowed change of ensemble for checkpoint restart
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commitdiff
2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2018-02-16
Mark Abraham
Merge branch release-2018 into master
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commitdiff
2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2018-02-14
Mark Abraham
Prepare release notes for 2018.1
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commitdiff
2018-02-09
Mark Abraham
Merge branch release-2018
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commitdiff
2018-02-08
Mark Abraham
Use more portable python shebangs
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commitdiff
2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2018-02-08
Mark Abraham
Merge "Merge branch 'release-2018' into master"
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commitdiff
2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
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commitdiff
2018-02-01
Paul Bauer
Add information for n2t file format
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commitdiff
2018-01-25
Mark Abraham
Removed mdrun -multi
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2018-01-23
Mark Abraham
Remove support for implicit solvation
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commitdiff
2018-01-19
Mark Abraham
Merge "Merge branch 'release-2018' into master"
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commitdiff
2018-01-19
Mark Abraham
Add dev-guide docs for automatic update of regressiontests
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commitdiff
2018-01-19
Aleksei Iupinov
Merge branch 'release-2018' into master
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commitdiff
2018-01-18
Roland Schulz
Remove incorrect release-note entry
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commitdiff
2018-01-18
Mark Abraham
Remove support for BlueGene
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commitdiff
2018-01-18
Paul Bauer
Add contribution information to webpage
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