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ACES II is electronic structure software (Advanced Concepts in Electronic Structure 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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