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Another clang-tidy fix for new GPU code
[alexxy/gromacs.git]
/
docs
/
reference-manual
/
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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commitdiff
2021-10-05
Sebastian Kehl
Uncapitalize sc-gapsys parameters in input.
tree
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commitdiff
2021-10-05
Sebastian Kehl
Update documentation with changed sc-gapsys parameter...
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commitdiff
2021-10-05
Sebastian Kehl
Update user-guide and reference manual.
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commitdiff
2021-10-05
Sebastian Kehl
Add gapsys softcore function.
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commitdiff
2021-10-05
Dmitry Morozov
QMMM description and release notes update
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commitdiff
2021-10-04
Berk Hess
Add transformation pull coord mdp examples
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commitdiff
2021-09-29
Eliane Briand
Relax requirement for bonded atom type names
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commitdiff
2021-09-27
Berk Hess
Use term "collective variable" in manual
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commitdiff
2021-09-24
Berk Hess
Add manual subsection for transformation pull coord
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-08-25
Carsten Kutzner
Fixed typos in replica exchange formulas
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-08-17
Andrey Alekseenko
Make ExpfitTest.EffnERREST well defined
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-18
Andrey Alekseenko
Minor docs fixes
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commitdiff
2021-06-17
Mark Abraham
Fixed docs build
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commitdiff
2021-05-27
Berk Hess
Add AWH references
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-02-18
Pascal Merz
Implement velocity terms for virtual sites
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
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commitdiff
2021-02-12
Mark Abraham
Improve CUDA codegen flags
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commitdiff
2021-02-12
Jan-Oliver Joswig
Changes from !1119
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commitdiff
2021-02-05
Cathrine Bergh
Updated logos
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
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commitdiff
2021-01-27
Pascal Merz
Remove constant acceleration groups
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commitdiff
2021-01-27
Christian Blau
Clarify lambda vector usage with figure in manual
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commitdiff
2021-01-26
Pascal Merz
Enable grompp to read virtual_site1
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commitdiff
2021-01-07
Paul Bauer
Add new GROMACS logo
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
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commitdiff
2020-12-15
Mark Abraham
Update deprecation statuses
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commitdiff
2020-12-13
Simon Christ
Correct signs of lj and coulomb forces
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-10-28
Berk Hess
Correct AWH initial histogram size
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commitdiff
2020-10-22
Christian Blau
Change outdated remdine references to gitlab
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-19
Andrey Alekseenko
Fix random doxygen warnings and typos
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-09-30
Paul Bauer
Revert "Add new GROMACS logo and use it in the manual."
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commitdiff
2020-09-30
Paul Bauer
Add new GROMACS logo and use it in the manual.
tree
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commitdiff
2020-09-28
Giovanni Bussi
Fixed incorrect enum
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commitdiff
2020-09-16
Christian Blau
Extend user docs on affine transformations for densities
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commitdiff
2020-09-15
Christian Blau
All coordinates in the density-guided-simulation group...
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commitdiff
2020-09-08
Christian Blau
Allow density-guided simulations to translate structure
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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commitdiff
2020-08-20
Magnus Lundborg
Make it possible to use FEP lambda states as a reaction...
tree
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commitdiff
2020-06-23
Berk Hess
Add virtual site with one constructing atom
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commitdiff
2020-06-05
Berk Hess
Remove COM from SETTLE
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commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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commitdiff
2020-04-03
M. Eric Irrgang
Prune change-management.rst and update links.
tree
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commitdiff
2020-03-16
Christian Blau
Remove dysfunctional QMMM interface pt4
tree
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commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
tree
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
tree
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commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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commitdiff
2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
tree
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commitdiff
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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commitdiff
2020-01-02
M. Eric Irrgang
Use `todo` Sphinx directive more.
tree
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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commitdiff
2019-12-26
M. Eric Irrgang
Clean up Sphinx interpreted text in the default role.
tree
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commitdiff
2019-12-12
Mark Abraham
Merge "Merge branch 'origin/release-2020' into master"
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commitdiff
2019-12-12
Christian Blau
Densityfitting - enforce similarity increase with adapt...
tree
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commitdiff
2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
tree
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commitdiff
2019-12-01
Paul Bauer
Use DOI for citing in reference manual section
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commitdiff
2019-11-30
Paul Bauer
Merge origin/release-2020 into master
tree
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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commitdiff
2019-11-25
Christian Blau
Read mrc density map format with all endianesses.
tree
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
tree
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commitdiff
2019-11-03
M. Eric Irrgang
Fix typos.
tree
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-10-21
Artem Zhmurov
Update the copyright message
tree
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commitdiff
2019-10-18
Christian Blau
Manual entry and .mdp option for adaptive force scaling
tree
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commitdiff
2019-09-27
Berk Hess
Fix location of angle in vsite figure
tree
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commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
tree
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commitdiff
2019-09-24
Mark Abraham
Merge "Merge branch release-2019 into master"
tree
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commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
tree
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commitdiff
2019-09-23
Christian Blau
Grompp error for mismatching nst for energy calulation...
tree
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commitdiff
2019-09-23
Christian Blau
Amendments to density fitting manual section
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commitdiff
2019-09-22
Christian Blau
Add cross-correlation as density simlarity measure
tree
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commitdiff
2019-09-16
Paul Bauer
Formatting fixes for reference manual
tree
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commitdiff
2019-09-16
Berk Hess
Add virtual site type 2FD
tree
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commitdiff
2019-09-16
Berk Hess
Remove cut-off schemes from manual
tree
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commitdiff
2019-09-12
Christian Blau
Manual entry for density guided simulations
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commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-08-06
Berk Hess
Fix latex formula in reference manual
tree
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commitdiff
2019-08-01
Mark Abraham
Merge "Merge release-2019 into master"
tree
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
tree
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commitdiff
2019-07-28
Berk Hess
Removed generalized reaction-field
tree
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commitdiff
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2019-05-20
Mark Abraham
Fix equation typo
tree
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commitdiff
2019-05-14
Berk Hess
Correct user guide postion restraint virial
tree
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commitdiff
2019-05-13
Paul Bauer
Fix math formatting in reference manual
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commitdiff
2019-04-05
David van der Spoel
Fixed manual for dihedral restraints.
tree
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commitdiff
2019-03-12
Paul Bauer
Fix formatting error in user guide reference
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commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
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