GitHub - UIUC-PPL/OpenAtom: Scalable Car-Parrinello MD in Charm++

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Scalable Car-Parrinello MD in Charm++

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Name		Name	Last commit message	Last commit date
Latest commit History 2,046 Commits
PAW_develop		PAW_develop
code_utils		code_utils
data/DATABASE		data/DATABASE
doc		doc
include		include
makefiles		makefiles
python		python
src_charm_driver		src_charm_driver
src_external_conversion		src_external_conversion
src_gw_bse		src_gw_bse
src_interop		src_interop
src_mathlib		src_mathlib
src_piny_physics_v1.0		src_piny_physics_v1.0
utils		utils
.gitignore		.gitignore
GIT_COMMAND.txt		GIT_COMMAND.txt
INSTALL		INSTALL
LICENSE		LICENSE
Makefile		Makefile
README		README
README.complexpc		README.complexpc
README.diagonalizer		README.diagonalizer

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=======================================================================
		OpenAtom Massively Parallel Code v1.5a
=======================================================================

-----------------------------------------------------------------------
 DIRECTORY STRUCTURE
-----------------------------------------------------------------------
The important directories in this distribution are:

Charm++ driver      :   src_charm_driver
PINY physics        :   src_piny_physics_v1.0
Math routines       :   src_mathlib

Test configurations :   tests
Build files         :   makefiles

Documentation       :   doc
Simulation data     :   data

-----------------------------------------------------------------------
 INSTALLATION 
-----------------------------------------------------------------------
To build OpenAtom read the INSTALL file

=======================================================================