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Fix url for DFT-D3

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svn-origin-rev: 18580
This commit is contained in:
Ole Schütt 2018-08-07 14:28:41 +00:00
parent 285d7e4d05
commit dfef08d1f2
2 changed files with 2 additions and 3 deletions
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3
src/input_cp2k_xc.F
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@ -901,8 +901,7 @@ CONTAINS
CALL keyword_create(keyword, name="REFERENCE_FUNCTIONAL", &
description="Use parameters for this specific density functional. " &
//"For available D3 and D3(BJ) parameters see: " &
//"http://www.thch.uni-bonn.de/tc/downloads/DFT-D3/functionals.html, " &
//"http://www.thch.uni-bonn.de/tc/downloads/DFT-D3/functionalsbj.html", &
//"https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/dft-d3", &
usage="REFERENCE_FUNCTIONAL <functional>", &
type_of_var=char_t)
CALL section_add_keyword(subsection, keyword)

2
src/qs_dispersion_pairpot.F
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@ -396,7 +396,7 @@ CONTAINS
CALL section_vals_val_get(vdw_section, "PAIR_POTENTIAL%REFERENCE_FUNCTIONAL", c_val=functional)
! values for different functionals from:
! http://www.thch.uni-bonn.de/tc/downloads/DFT-D3/functionals.html
! https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/dft-d3
SELECT CASE (TRIM (functional))
CASE DEFAULT
! unknown functional