mirror of https://gitlab.com/QEF/q-e.git
33 lines
1.1 KiB
Markdown
33 lines
1.1 KiB
Markdown
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* State of the separation of upflib from the rest of QE:
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the following routines or utilities have been copied inside upflib
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- splinelib
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Given that its prevalent usage is for PPs, I have removed the one
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in Modules/
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- randy
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in module uspp, file uspp.f90
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- invmat
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simplified version, in module upf_invmat, file upf_invmat.f90
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- capital, lowercase, isnumeric, matches, version_compare
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in module upf_utils, file upf_utils.f90
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- qe_erf
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as upf_erf, in file upf_erf.f90
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- errore and infomsg
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as upf_error, in file upf_error.f90
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The following modules have been (partially) duplicated:
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- kinds => upf_kinds
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- parameters => upf_params
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- constants => upf_const
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Makefile simplified
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* upflib restructuring:
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- shall we keep just one src folder ? or structure it a bit more, such as
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upflib/baselib all basic data structures and io
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upflib/advlib advanced initializations (init_us_0,1,2)
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upflib/tools tools from upftools
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AF: probably structuring is not the highest priority now, though it can
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be useful to organize the material.
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PG: agreed
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