Commit Graph

8 Commits

Author SHA1 Message Date
fabrizio22 509ce8ad64 XClib - all in module xc_lib 2021-01-06 15:42:52 +01:00
fabrizio22 bb3e2eb31b XClib - all external calls removed 2021-01-06 15:36:00 +01:00
fabrizio22 6a80871719 XClib - gga spin - scratch 2021-01-06 15:35:59 +01:00
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
Pietro Bonfa 28f02b9bd0 Small changes in xc functionals to make autogeneration of GPU code (with a trivial directive based syntax) possible 2019-11-19 14:30:26 +01:00
Fabrizio Ferrari 9a5bc8d5a8 GGA vectorized and libxc functionals included 2019-06-04 07:26:24 +00:00
fabrizio22 343cd6bfac Internal library for LDA xc functionals 2019-02-21 14:47:18 +01:00
giannozz 1fea499fae Since we are in the process of moving stuff around, I think it is a good
moment to get rid of flib/, whose usefulness is far from obvious. The content
of flib/ is now in Modules/. Many makefiles updated and little more. 

Packages using QE routines should just remove links to flib/flib.a.



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12072 c92efa57-630b-4861-b058-cf58834340f0
2016-01-26 12:51:02 +00:00