Commit Graph

4 Commits

Author SHA1 Message Date
Paolo Giannozzi 815047d8b9 [skip-CI] More upflib cleanup 2023-04-23 13:10:10 +02:00
Paolo Giannozzi c72659df2e [skip-CI] Removed file upftest.f90 erroneously added, moved two small functions
from Modules/io_files.f90 to a more logical place, upflib/upf_utils.f90
2023-04-12 18:04:13 +02:00
Paolo Giannozzi 703ef26cd1 upf_erf deleted and replaced by standard erf 2021-02-18 10:22:29 +00:00
giannozz 1b072fbc4f First compiling version of QE with initial "pseudolib" in upflib/.
Most of the changes consist in small updates to Makefile and make.depend and
in the replacement of module "parameters" with "upf_params" whenever variables
lmaxx and lqmax are USEd. Routine "read_pseudo" moved back to Modules/;
"simpsn" moved to upflib/; a copy of "matches" temporarily added to upflib/

Note that everything compiles (except EPW) but nothing has been tested yet!
2020-04-25 19:13:15 +00:00