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Manual: Fix formatting of links

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Ole Schütt 2023-10-24 21:57:57 +02:00 • committed by Ole Schütt
parent 25c905ac38
commit ed1be9b29a
9 changed files with 17 additions and 17 deletions
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2
src/input_cp2k_colvar.F
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@ -482,7 +482,7 @@ CONTAINS
CPASSERT(.NOT. ASSOCIATED(section))
CALL section_create(section, __LOCATION__, name="population", &
description="Section to define the population of specie as a collective variable. "// &
"See also https://doi.org/10.1021/jp3019588", &
"See also <https://doi.org/10.1021/jp3019588>.", &
n_keywords=1, n_subsections=0, repeats=.FALSE.)
NULLIFY (subsection, keyword)

2
src/input_cp2k_global.F
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@ -663,7 +663,7 @@ CONTAINS
enum_c_vals=s2a("SCALAPACK", "PDGEMM", "COSMA"), &
enum_desc=s2a("Standard ScaLAPACK pdgemm", &
"Alias for ScaLAPACK", &
"COSMA is employed. See https://github.com/eth-cscs/COSMA."))
"COSMA is employed. See <https://github.com/eth-cscs/COSMA>."))
CALL section_add_keyword(section, keyword)
CALL keyword_release(keyword)

2
src/input_cp2k_mm.F
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@ -2057,7 +2057,7 @@ CONTAINS
"| $ r < r_1 $ | $ V(r) = A\exp(-Br) $ |"//newline// &
"| $ r_1 \leq r < r_2 $ | $ V(r) = \sum_n \operatorname{POLY1}(n)r_n $ |"//newline// &
"| $ r_2 \leq r < r_3 $ | $ V(r) = \sum_n \operatorname{POLY2}(n)r_n $ |"//newline// &
"| $ r \geq r_3 $ | $ V(r) = -C/r_6 $ |", &
"| $ r \geq r_3 $ | $ V(r) = -C/r_6 $ |"//newline, &
n_keywords=1, n_subsections=0, repeats=.TRUE.)
NULLIFY (keyword)

4
src/input_cp2k_mp2.F
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@ -1806,14 +1806,14 @@ CONTAINS
do_potential_id/), &
enum_desc=s2a("Coulomb potential: 1/r", &
"| Range | TShPSC |"//newline// &
"| ------- | ------ |"//newline// &
"| ----- | ------ |"//newline// &
"| $ x \leq R_c $ | $ 1/x - s/R_c $ |"//newline// &
"| $ R_c < x \leq nR_c $ | "// &
"$ (1 - s)/R_c - (x - R_c)/R_c^2 + (x - R_c)^2/R_c^3 - "// &
"(2n^2 - 7n + 9 - 4s)(x - R_c)^3/(R_c^4(n^2 - 2n + 1)(n - 1)) + "// &
"(6-3s - 4n + n^2)(x - R_c)^4/(R_c^5(n^4 - 4n^3 + 6n^2 - 4n + 1)) $ "// &
"(4th order polynomial) | "//newline// &
"| $ x > nR_c $ | $ 0 $ | ", &
"| $ x > nR_c $ | $ 0 $ | "//newline, &
"Longrange Coulomb potential: $ \operatorname{erf}(wr)/r $", &
"Shortrange Coulomb potential: $ \operatorname{erfc}(wr)/r $", &
"Truncated Coulomb potential", &

10
src/input_cp2k_properties_dft.F
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@ -2001,8 +2001,8 @@ CONTAINS
"electronic level energies of molecules and the band structure of "// &
"materials (currently only 2D materials tested). For the GW "// &
"algorithm for molecules, see "// &
"[https://doi.org/10.1021/acs.jctc.0c01282]. "// &
"For 2D materials, see [http://arxiv.org/abs/2306.16066].", &
"<https://doi.org/10.1021/acs.jctc.0c01282>. "// &
"For 2D materials, see <http://arxiv.org/abs/2306.16066>.", &
n_keywords=1, n_subsections=1, repeats=.FALSE.)
NULLIFY (keyword)
@ -2021,8 +2021,8 @@ CONTAINS
"for 0.1 eV precision of band structures and molecular energy "// &
"levels, 20 points for 0.03 eV precision, "// &
"and 30 points for 0.01 eV precision, see Table I in "// &
"[https://doi.org/10.1021/acs.jctc.0c01282]. GW computation time "// &
"increases linearly with NUM_TIME_FREQ_POINTS.", &
"<https://doi.org/10.1021/acs.jctc.0c01282>. GW computation time "// &
"increases linearly with `NUM_TIME_FREQ_POINTS`.", &
usage="NUM_TIME_FREQ_POINTS 30", &
default_i_val=30)
CALL section_add_keyword(section, keyword)
@ -2138,7 +2138,7 @@ CONTAINS
description="Switch on or off spin-orbit coupling. Use SOC "// &
"parameters from non-local pseudopotentials as given in "// &
"Hartwigsen, Goedecker, Hutter, Eq.(18), (19) "// &
"(doi.org/10.1103/PhysRevB.58.3641), "// &
"<https://doi.org/10.1103/PhysRevB.58.3641>, "// &
"V^SOC_µν^(α) = ħ/2 < ϕ_µ | sum_ℓ ΔV_ℓ^SO(r,r') L^(α) | ϕ_ν >, "// &
"α = x, y, z.", &
n_keywords=1, n_subsections=1, repeats=.FALSE.)

2
src/input_cp2k_thermostats.F
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@ -475,7 +475,7 @@ CONTAINS
CPASSERT(.NOT. ASSOCIATED(section))
CALL section_create(section, __LOCATION__, name="GLE", &
description="paramameters of the gle thermostat. This section can be generated "// &
"from https://gle4md.org/index.html?page=matrix", &
"from <https://gle4md.org/index.html?page=matrix>.", &
citations=(/Ceriotti2009, Ceriotti2009b/))
NULLIFY (keyword, subsection)

2
src/input_cp2k_transport.F
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@ -60,7 +60,7 @@ CONTAINS
CPASSERT(.NOT. ASSOCIATED(section))
CALL section_create(section, __LOCATION__, name="TRANSPORT", &
description="Specifies the parameters for transport, sets parameters for the OMEN code, "// &
"see also http://www.nano-tcad.ethz.ch/ ", &
"see also <https://nano-tcad.ee.ethz.ch>.", &
citations=(/Bruck2014/), &
n_keywords=29, n_subsections=4, repeats=.FALSE.)

6
src/input_cp2k_xc.F
View file

@ -956,9 +956,9 @@ CONTAINS
CALL section_add_keyword(subsection, keyword)
CALL keyword_release(keyword)
CALL keyword_create(keyword, __LOCATION__, name="REFERENCE_FUNCTIONAL", &
description="Use parameters for this specific density functional. " &
//"For available D3 and D3(BJ) parameters see: " &
//"https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3", &
description="Use parameters for this specific density functional. "// &
"For available D3 and D3(BJ) parameters see: "// &
"<https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3>.", &
usage="REFERENCE_FUNCTIONAL <functional>", &
type_of_var=char_t)
CALL section_add_keyword(subsection, keyword)

4
src/start/input_cp2k_motion.F
View file

@ -1758,7 +1758,7 @@ CONTAINS
CALL keyword_release(keyword)
CALL keyword_create(keyword, __LOCATION__, name="GAMMA", &
description="mass scale factor for non-centroid degrees of freedom, &
& naming convention according to Witt, 2008, doi.org/10.1063/1.3125009", &
& naming convention according to Witt, 2008, <https://doi.org/10.1063/1.3125009>.", &
repeats=.FALSE., default_r_val=8.0_dp)
CALL section_add_keyword(subsection, keyword)
CALL keyword_release(keyword)
@ -1879,7 +1879,7 @@ CONTAINS
CALL keyword_release(keyword)
CALL keyword_create(keyword, __LOCATION__, name="MATRICES_FILE_NAME", &
description="Filename containig the raw matrices from "// &
"https://gle4md.org/index.html?page=matrix", &
"<https://gle4md.org/index.html?page=matrix>.", &
repeats=.FALSE., default_lc_val="PIGLET.MAT")
CALL section_add_keyword(subsection, keyword)
CALL keyword_release(keyword)