LCPQ/Cost_package
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Web page : http://github.com/LCPQ/Cost_package Web page : http://github.com/LCPQ/Cost_package
The different programs need atomic integrals and molecular orbitals coming from Molcas or OpenMolcas. The different programs need atomic integrals and molecular orbitals coming from Molcas or OpenMolcas (in the last version cost_maj.tgz).
In the whole package "cost", you can find : In the whole package "cost", you can find :
@ -13,6 +13,19 @@ In the whole package "cost", you can find :
- faiano: to transform a basis set in an ANO form (sometimes useful for the localization) - faiano: to transform a basis set in an ANO form (sometimes useful for the localization)
- etc... - etc...
How to install
================
1. You have untared the cost_maj.tgz file
2. cd cost_maj
3. edit file install
answer the questions (lines containing "???")
(i.e. choose the F90 compiler, look also at the lapack and blas variables)
4. ./install
5. Important Note: The localisation of the cost files in the file system
appears in some files.
As a consequence, once you have run "install":
- DO NOT change the name of cost directory
- DO NOT copy the cost directory (ex cp -R cost cost2) onto another place.
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