Thanks Paolo. I should have made my search case sensitive.
Best,
Vahid
On Jun 20, 2022, at 9:26 AM, Paolo Giannozzi
mailto:paolo.gianno...@uniud.it>> wrote:
grep -i set_criteria *f90
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In subdirectory dft-d3/:
$ grep -i set_criteria *f90
api.f90:call set_criteria(this%rthr, latvecs, rtmp3)
api.f90:call set_criteria(this%cn_thr, latvecs, rtmp3)
core.f90: subroutine SET_CRITERIA(rthr,lat,tau_max)
core.f90: end subroutine SET_CRITERIA
dftd3_qe.f90:call set_criteria(t
Dear QE Community,
In the dft-d3 folder, there are multiple calls to a subroutine called
“set_criteria”. I cannot find this subroutine in the QE package. Does anyone
know where it is located?
Interestingly, in the following link
(https://github.com/dftbplus/dftd3-lib/blob/main/lib/core.f90), t
