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ACES II is electronic structure software (Advanced Concepts in Electronic Structure II)
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ajithperera/ACES-II
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Welcome to the ACES II top-level source code directory. This document contains descriptions of files and directories that are used to build and support ACES II. Descriptions of the ACES II executables and libraries can be found in Info/OBJECTS. Info : ACES II documentation BUILDING : Guide to compiling the source code CHANGELOG : List of changes between versions F77_IO_UNITS : List of (known) FORTRAN file/unit assignments GDBINIT : A sample .gdbinit file for debugging with gdb OBJECTS : Directory of ACES Member Executables (AME) and ACES Shared Libraries (ASL) PORTING : List of optimization defects found when porting the code README.molcas : Notes on building Molcas TODO : Neglected list of things to do Makefiles : Primary ACES II makefiles (all others should link to these) GNUmakefile : Principal makefile for building AMEs and ASLs GNUmakefile.src : Override makefile to undo GNUmakefile options GNUmakefile.tl : Top-level makefile for recursively building subdirectories Script : Collection of some user scripts clean.sh : Cleaning script for aggressively removing unknown runtime files TestSuite : (optional) Collection of good output files for testing a new build WORKDIR : Directory for running tests from the command line TESTDIR : Directory for running tests automatically test.* : Input files pre.test.* : Good output files out.test.* : New output files runtest : Script for running all tests checktest : Script for (inadequately) comparing old and new output files configure : Discovery tool for porting the code to new platforms (ignored by all makefiles) gemini.skip : Parallel program to create local tmp directories and run serial programs in them (not built automatically by GNUmakefile.tl) xprep : Script for preparing the top-level build environment xskip : Script for switching directories to .skip directories xunskip : Script for undoing the effects of xskip include : Top-level ACES II include directory bin : Default binary installation directory (created by xprep) lib : Default library installation directory (created by xprep)
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ACES II is electronic structure software (Advanced Concepts in Electronic Structure II)
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