diff --git a/README.md b/README.md index 6d7a865..a9f1a29 100644 --- a/README.md +++ b/README.md @@ -2,7 +2,7 @@ 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 : @@ -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) - 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. People involved