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pkg://aces3_3.0.6.orig.tar.gz:9616554/ACESIII/a2util/acescore/  info  downloads

README

This directory contains the core files to access and interact with the ACES
environment. Subsystems are described below.

--------------
ACES SUBSYSTEM
--------------

files required/created:
   (see other subsystems)

main routines:
   ACES_INIT - initializes the ACES environment
   ACES_FIN  - finalizes   the ACES environment

calling order:
   call aces_init(iCore,iUHF,bAllocMem)
   ...
   call aces_fin

---------------------
JOB ARCHIVE SUBSYSTEM
---------------------

files required/created:
   JOBARC - the unformatted, direct access file containing all the ACES records
   JAINDX - the unformatted file containing the record statistics (jobarc.com)

main routines:
   ACES_JA_INIT - initializes the job archive environment
   ACES_JA_FIN  - finalizes   the job archive environment
   GETREC - retrieves a record from the job archive
   PUTREC - stores    a record to   the job archive

calling order:
   call aces_ja_init
   call getrec/putrec(...)
   call aces_ja_fin

-------------
I/O SUBSYSTEM
-------------

files required/created:
   MOINTS, GAMLAM, MOABCD, DERINT, DERGAM - the unformatted, direct access
      files containing double precision arrays (each contains up to 100 list
      families of 10 array groups)

main routines:
   ACES_IO_INIT - initializes the I/O environment
   ACES_IO_FIN  - finalizes   the I/O environment
   GETLST - retrieves columns from an array in a storage file
   PUTLST - stores    columns to   an array in a storage file

calling order:
   call aces_io_init(iCore,i0,iMem,bInitCache)
   call getlst/putlst(...)
   call aces_io_fin

---------------
CACHE SUBSYSTEM
---------------

files required/created:
   none

main routines:
   ACES_CACHE_INIT - initializes the cache for list processing

calling order:
   call aces_cache_init(iCore,i0,iMem)
   call getlst/putlst(...)

---------------
CHEMICAL SYSTEM
---------------

files required/created:
   none

related routines:
   ACES_INIT_CHEMSYS - initializes various common blocks

calling order:
   call aces_init_chemsys

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