Commit Graph

5 Commits

Author SHA1 Message Date
Paolo Giannozzi 34e30131c4 Derivatives of spherical harmonics (dylmr2*f90) moved to upflib/
Makefiles and dependencies updated
2021-05-02 09:20:21 +02:00
Paolo Giannozzi 2ad4590d3a Spherical harmonics rewritten
No need to allocate a large auxiliary array to compute spherical harmonics.
This version can be easily ported to whatever accelerator: it is just a loop.
2021-05-01 14:13:27 +02:00
Paolo Giannozzi 29b8eb1bc2 errore => upf_error 2021-04-09 07:57:24 +02:00
Paolo Giannozzi 437f630e80 Removal of duplicated PP code
*** PLEASE TEST MACROSCOPIC ELECTRIC FIELDS AND BERRY PHASES WITH US-PP ***
2021-04-05 22:21:48 +02:00
Paolo Giannozzi 15ef90850c Circular dependency solved by moving ylmr2.f90 from Modules to upflib/ 2020-11-22 12:59:30 +01:00