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degironc authored
l-dependent array in all cases. This is already the case when upf%tpawp or upf%q_with_l are .true. . For vanderbilt US pseudos, where nqf and rinner are non zero, we do here what otherwise would be done multiple times in many parts of the code (such as in init_us_1, addusforce_r, bp_calc_btq, compute_qdipol) whenever the q_l(r) were to be constructed. For simple rrkj3 pseudos we duplicate the infomation contained in q(r) for all q_l(r). This requires a little extra memory but unifies the treatment of q_l(r) and allows further tweaking with the augmentation charge. Variable upf%q_with_l set .true. at the end of the operation. It would be better to leave the variable untouched at its input value and modify the routines that compute q_l(r) to just use the now always present upf%qfuncl array but this is the first step before some cleanup. setqf.f90 moved from PW/src to Modules, Makefiles and dependencies updated git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12591 c92efa57-630b-4861-b058-cf58834340f0
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