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Martin Kurečka
Plumed AlphaFold
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Created with Raphaël 2.2.0
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Check if compiler can generate dependencies
headers
changelog
Added doc
Merge branch 'v2.2'
changelog
add notice about port files
changelog
Added --mpi (symmetric with --no-mpi)
doc and changelog
Optional modules are off by default
Fix in __PLUMED_DEFAULT_KERNEL
Merge branch 'eds-fix' into eds
Merge https://github.com/plumed/plumed2 into HEAD
added a pointer linking when opening the output file, and this seemed to fix a problem where in parallel cases, many versions of the restart file were being created
Merge https://github.com/plumed/plumed2 into eds
added further examples for eds
eds freeze function for restarting added
Merge branch 'master' into BayesBias
set default values for set_value etc so that vector stays ncvs long
changelog
Merge remote-tracking branch 'origin/master'
Merge remote-tracking branch 'origin/v2.2'
Merge branch 'v2.2-hrex'
Updated hrex tutorial
Solved issue with -hrex and twin cutoff
Fix on -hrex with NPT
Fixes in doc
Merge branch 'v2.2-hrex'
SAXS: code cleaning
Merge remote-tracking branch 'public/v2.2-hrex' into v2.2-hrex
Merge branch 'v2.2' into v2.2-hrex
Added __PLUMED_DEFAULT_KERNEL
Eds.cpp restart works for ramp/fixed case and probably automated case as far as i can tell
added max range and max grad to restart file
moved adding of output components to eds object before restart functionality
Eds writing restart file seems to work
convert max coupling range to real units
remove rest of commented out code
added preliminary docs for eds, need examples
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