- Sep 09, 2014
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Giovanni Bussi authored
plumed core can be compiled without these. With this change it is necessary to solve a but in the script building the list of modules to be tested. I took the occasion to simplify it. Now, all the optional modules are checked, but if a directory is not present in regtest/ that module is ignored.
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- May 01, 2014
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Gareth Tribello authored
The reference module means that you can use different types of metric when calculating the separation between the instantaneous position and a reference configuration.
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- May 03, 2013
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Giovanni Bussi authored
Adapted from GROMACS
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- Dec 06, 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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