https://github.com/bgin/library

https://github.com/bgin/library

Last synced: about 2 months ago
JSON representation

• Host: GitHub
• URL: https://github.com/bgin/library
• Owner: bgin
• Created: 2016-12-08T19:53:58.000Z (about 8 years ago)
• Default Branch: master
• Last Pushed: 2015-10-27T17:30:04.000Z (about 9 years ago)
• Last Synced: 2023-03-05T19:43:06.494Z (almost 2 years ago)
• Language: FORTRAN
• Size: 16.4 MB
• Stars: 0
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README

Awesome Lists containing this project

README

        
These directories contain utility routines which are used in more

than one link.  The directories and their contents are:

****Character_Manipulation_Subroutines:****     

     This contains most of the character manipulation routines.

****Common_Los_Alamos_Mathematical_Subroutines:****   (common los alamos mathematical subroutines)

     This contains routines for performing general matrix operations, etc.

     many of the routines from the blas and eispack which we use in the

     codes are also kept here. the idea is that if you have "fast"

     versions of some of these standard routines available, then when you

     link to the $MD_LIB you will get the "fast" versions loaded instead.  This

     is done using .F or .F90 suffices which invokes the Fortran preprocessor.

     The preprocessor then compiles a set of routines that call the machine codes.

****dft:****     

     These contain routines used by density functional links.  Currently they are not

     supported.

****Double_Precision_Integral_Library:****

     These are a few routines needed by the rys polynomial section

     of the integal code which must be compiled with the "double precision"

     option on the cray. they are normally compiled on 32-bit unix stations with no

     special flags.

****Integral_Library:****  

     These are various auxiliary routines used by the integral and

     derivative links.

****IOsys_Subroutines:****     

     This directory contains the machine independent portions of iosys,

     the i/o manager.  This manager allows very efficient and transparent

     use of input/output.

****Mathematical_Subroutines:****   

     This contains many of the "higher level" matrix manipulation routines,

     diagonalizers, etc. many of them ultimately call a routine from

     the blas or some other standard package.

****Machine_Dependent_Subroutines:****  T

     This directory contains those subroutines which are machine dependent.  In the

     current environment most if not all of these routine are the same in every OS.

     This was not the case 30 years ago.

****Symmetry_Library:****

     Routines to handle the determination of symmetry.  When symmetry can be

     used in a code, it significantly can reduce the work.  Not all of the links can

     use symmetry.

****General_Utility_Subroutines:****

     Generic matrix output routines, etc.

****tcgmsg:****

     The message passing library from Robert Harrison at PNL. this is

     necessary if the parallel implementation is used. Note that this should

     be done separately. Go to the makefile for that directory.