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dftbplus / skprogs

Basic programs for generating Slater-Koster files for the DFTB-method
GNU Lesser General Public License v3.0
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Intel compiler added to compile example #11

Closed tsihyoung closed 2 years ago

tsihyoung commented 2 years ago
  1. Added intel compiler example to README with OpenMP flag.
  2. Trivial typo fix in README.
tsihyoung commented 2 years ago

Also, if the LibXC was compiled by ifort, using xc_f90_lib_m with gfortran will encounter fatal error:

f951: Fatal Error: Reading module ‘xc_f90_lib_m’ at line 1 column 2: Unexpected EOF.

This issue might need to be mentioned in the README.

Test environment: gcc version 8.5.0 20210514 (Red Hat 8.5.0-4) (GCC)