- Jul 09, 2019
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Giovanni Bussi authored
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- Dec 07, 2018
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Giovanni Bussi authored
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- Nov 29, 2018
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Giovanni Bussi authored
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- Jun 06, 2018
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Giovanni Bussi authored
Now that libplumedKerneldylib does not depend anymore on libplumed.dylib it is possible to use two-level namespace on osx. This change has two implications: - the shared library used to resolve symbols during linking is recorded and used at runtime. - all symbols should be available at link time A side effect of this is that while compiling dylibs for the LOAD action we should link them to the libplumedKernel as well. For consistency I do the same on Linux, though it is not necessary in principle.
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- Apr 09, 2018
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Giovanni Bussi authored
see 7a72bc37
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Giovanni Bussi authored
Using completion the config.sh script is called during compilation. This fix avoids problems when cltools is compiled before config
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- Mar 20, 2018
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Giovanni Bussi authored
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- Mar 19, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
faster implementation, calls scripts once
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Giovanni Bussi authored
Slow implementation, calls scripts everytime
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- Mar 15, 2018
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Giovanni Bussi authored
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- Feb 19, 2018
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Giovanni Bussi authored
with 315e6746
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- Feb 05, 2018
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Giovanni Bussi authored
Fixed partial_tempering with gromacs 5 convention. Old behavior can be forced with --gromacs4 option.
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- Oct 30, 2017
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Giovanni Bussi authored
Can be retrieved with plumed config mpiexec
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- Oct 03, 2017
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Giovanni Bussi authored
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- Sep 20, 2017
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Giovanni Bussi authored
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- Jan 10, 2017
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Giovanni Bussi authored
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- Oct 25, 2016
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Jan Domanski authored
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- Aug 31, 2016
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Giovanni Bussi authored
Before this fix, atomtypes with 6 columns were not working.
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- Jul 11, 2016
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Giovanni Bussi authored
There was an issue when using plumed vim2html --pdf --crop on a plumed.dat file that is in a different directory. (fixed by @a-cesari)
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- Jun 13, 2016
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Giovanni Bussi authored
I implemented a shell-only tool "plumed config" This tool can be used to probe the src/config/config.txt configuration file. So far it can be used e.g. as plumed config has mpi to enquire for an enabled feature. It has some advantage wrt the --has-xxx options: 1. It is based on file src/config/config.txt, which parses configure.ac and header files to find possible -D and Makefile.conf to find activated -D. This means that it is not necessary to manually edit the src/config/Config.h and src/core/CLToolsMain.cpp file to add new defines 2. it is shell only, thus works in cross compiled environment
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- Apr 26, 2016
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Giovanni Bussi authored
(courtesy of Andrea Cesari)
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- Mar 14, 2016
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Giovanni Bussi authored
- Implementation of short help (with :PHelp) - Updated doc - Autocompletion now knows if label was already provided at the beginning of the line and does not suggest it anymore in case - Compilation of the vim plugin is more similar to compilation of the user doc - Compilation of the vim plugin is made when doing "make install" from root dir.
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- Mar 10, 2016
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Giovanni Bussi authored
allows syntax to be checked
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- Jul 07, 2015
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Giovanni Bussi authored
Now plumed should work if built on a directory which has a space in the path. Notice that install directory should still not contain spaces. This is because of some difficulties in making the src/lib/Makefile rules compatible with names with spaces. Addresses #157
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- Feb 03, 2014
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Giovanni Bussi authored
(cherry picked from commit 2ccba594) Backported changes from master to fix "plumed mklib" There was a problem with Makefile.conf as produced with ./configure if used in v2.0. This fix allows to use new Makefile.conf with old (2.0) plumed. This should fix the problem with rt15 mentioned by Gareth in the discussion of #76 Conflicts: src/config/Makefile
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- Nov 15, 2013
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Giovanni Bussi authored
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- Nov 08, 2013
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Giovanni Bussi authored
Target shared library is deleted before attempting its creation. In this manner, if an error arises during compilation, the library will not be there. It is important to have LOAD FILE=xxx.cpp working properly. E.g. if there is an error during compilation, a possibly existing library is deleted.
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- Sep 11, 2013
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Giovanni Bussi authored
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- Aug 26, 2013
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Giovanni Bussi authored
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- Aug 24, 2013
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Giovanni Bussi authored
There was an error in dihedral scaling (they were scaled with sqrt(lambda) also if both terminal atoms were in the hot region)
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jul 11, 2013
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Giovanni Bussi authored
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- Dec 14, 2012
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Giovanni Bussi authored
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- Nov 23, 2012
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Giovanni Bussi authored
All the source code have been moved into subdirectories of src/ Some of these subdirectories are treated in a special manner: src/wrapper contains the wrappers for MD codes src/main contains the main.cpp file src/config contains files generated without compilation, just based on configuration info src/lib is the place where executables and libraries are put at the end src/cltools contains the command line tools src/tools contains plumed tools (reusable classes) src/basic contains PlumedMain, Action hierarchy and other basic stuff src/multicolvar contains MultiColvar stuff src/imd is the interactive MD (still not totally portable). Notice that, to allow easy inclusion of .h files from other modules, I link all the directories in src/ into module directory. In this way it is possible e.g. to write #include "config/PlumedConfig.h" See src/README and src/basic/Makefile to understand how inter-module dependencies are set
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- May 10, 2012
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Giovanni Bussi authored
I am experimenting with this. See comments in the script file.
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- Jan 13, 2012
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Giovanni Bussi authored
Now there is a single "plumed" binary in /src (plus a plumed-static binary, equivalent but statically bound), which can be used to do patches, call the driver, etc. Notice that I changed the generated sourceme.sh file accordingly: now the "plumed" binary should be reachable.
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