Paolo Giannozzi
34e30131c4
Derivatives of spherical harmonics (dylmr2*f90) moved to upflib/
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Makefiles and dependencies updated
2021-05-02 09:20:21 +02:00
Paolo Giannozzi
2ad4590d3a
Spherical harmonics rewritten
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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
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*** 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