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