Commit Graph

7 Commits

Author SHA1 Message Date
Paolo Giannozzi 1def560952 Yet another problem with broadcast of zero-sized array. Fixes #633 2024-01-04 12:43:13 +01:00
Paolo Giannozzi ef16fa242b [skip-CI] More upf cleanup, notably in pseudppotebtial reading. Now all formats
are read on one processors and broadcast to all others. Temporarily, reading of
GTH pseudopotentials is disabled. May still need some further testing.
2023-04-25 10:21:18 +02:00
Paolo Giannozzi 815047d8b9 [skip-CI] More upflib cleanup 2023-04-23 13:10:10 +02:00
Paolo Giannozzi 703ef26cd1 upf_erf deleted and replaced by standard erf 2021-02-18 10:22:29 +00:00
Paolo Giannozzi 0db76c8efe More missing initializations in old formats, leading to strange errors 2020-05-02 13:58:25 +00:00
Paolo Giannozzi 6edef47848 POINTER => ALLOCATABLE
The old restriction on allocatable arrays in derived type no longer applies,
so all pointers in the derived-type upf variables are converted to allocatable
2020-04-30 15:43:04 +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