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Fix gmx solvate topology updating
[alexxy/gromacs.git]
/
docs
/
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
2018-06-14
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
2018-06-13
Mark Abraham
Fixed documentation typo
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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
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
2018-05-30
Paul Bauer
Disallow use of empty box information in solvent files
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commitdiff
2018-05-22
Aleksei Iupinov
Remove unused results of cudaStreamQuery()
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commitdiff
2018-05-03
Berk Hess
Enable SIMD version of update
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commitdiff
2018-04-10
Aleksei Iupinov
Prevent OpenCL timing memory leak
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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
Berk Hess
Change warninp filenm to std::string
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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
2018-03-06
Szilárd Páll
Extend "Finding out how to run mdrun better" section
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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
2018-02-26
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
2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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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
2018-02-08
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
2018-01-18
Roland Schulz
Remove incorrect release-note entry
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commitdiff
2018-01-11
Mark Abraham
Version 2018
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commitdiff
2018-01-10
Szilárd Páll
User guide updates to GPU section
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commitdiff
2018-01-10
Szilárd Páll
Release notes tweaks
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commitdiff
2018-01-10
Mark Abraham
Add release notes to source repo
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commitdiff
2018-01-10
Szilárd Páll
Install guide updates
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commitdiff
2018-01-10
Szilárd Páll
Environment variable docs maintenance
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commitdiff
2018-01-09
Mark Abraham
Clean up user guide for release
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commitdiff
2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2018-01-08
Carsten Kutzner
Fix a few typos in SIMD documentation
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commitdiff
2018-01-03
Paul Bauer
Correct dihedral restraint section in Manual
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commitdiff
2018-01-02
Erik Lindahl
Improve manual from comments by Gang Liu
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commitdiff
2017-12-26
Erik Lindahl
Fix builds on ARM & clarify (ARM) GPU support
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commitdiff
2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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commitdiff
2017-12-21
Pascal Merz
Documentation and fixes for physical validation
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commitdiff
2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2017-12-19
Carsten Kutzner
Fix electric field .mdp documentation
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commitdiff
2017-12-17
Roland Schulz
Support Simd4N for SimdRealWidth<4
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commitdiff
2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2017-12-08
Berk Hess
Add Viveca Lindahl as contributor
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commitdiff
2017-12-08
Paul Bauer
Add information regarding xlc compiler
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commitdiff
2017-12-06
Szilárd Páll
Implement alternating GPU wait
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commitdiff
2017-12-04
Berk Hess
Merge "Merge branch release-2016 into release-2018...
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commitdiff
2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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commitdiff
2017-11-30
Viveca Lindahl
Correct AWH input file name in documentation
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commitdiff
2017-11-28
Mark Abraham
GROMACS 2018 first beta release
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commitdiff
2017-11-28
Berk Hess
Update documention of Nose-Hoover output
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commitdiff
2017-11-27
Paul Bauer
Add GPU task information to user-guide
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commitdiff
2017-11-24
Berk Hess
Disabled CUDA timings
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commitdiff
2017-11-24
Mark Abraham
Update developer guide
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commitdiff
2017-11-24
Mark Abraham
Extend task assignment code
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commitdiff
2017-11-24
Aleksei Iupinov
Mention gmx_install_headers() in the developer manual
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commitdiff
2017-11-24
Aleksei Iupinov
Pin coordinates, forces and charges for PME on GPU
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commitdiff
2017-11-23
Berk Hess
Update note in manual on SD
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commitdiff
2017-11-22
Viveca Lindahl
Fixed typo and adds corrects units in the friction...
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commitdiff
2017-11-22
Viveca Lindahl
Added friction tensor to AWH manual section
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commitdiff
2017-11-21
Paul Bauer
First general additions to the documentation
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commitdiff
2017-11-20
Viveca Lindahl
Add reading and writing to AWH module
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commitdiff
2017-11-19
Berk Hess
Add SIMD for AWH
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commitdiff
2017-11-19
Viveca Lindahl
Add AWH section to manual.
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commitdiff
2017-11-19
Viveca Lindahl
Add AWH biasing module + tests
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commitdiff
2017-11-18
Magnus Lundborg
Added Magnus Lundborg as contributor in the manual.
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commitdiff
2017-11-10
Roland Schulz
PME-gather: 4xN SIMD
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commitdiff
2017-11-03
Mark Abraham
Merge "Merge branch release-2016"
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commitdiff
2017-11-02
David van der Spoel
New mdp input for electric fields.
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commitdiff
2017-11-02
Mark Abraham
Merge branch release-2016
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commitdiff
2017-11-01
Paul Bauer
Small change to LaTeX manual generation
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commitdiff
2017-11-01
Paul Bauer
Fixing missing references in web documentation
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commitdiff
2017-10-23
David van der Spoel
Split off the NMR related analyses from gmx energy.
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commitdiff
2017-10-20
Mark Abraham
Clarify docs for Fmax in EM
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commitdiff
2017-10-20
Mark Abraham
Merge branch release-2016
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commitdiff
2017-10-16
Mark Abraham
Merge branch release-2016
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commitdiff
2017-10-11
Paul Bauer
Change to modules for build of web documentation
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