From ed1be9b29a76eae91bc5e1d9cb35fbcaa846fe6c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Tue, 24 Oct 2023 21:57:57 +0200 Subject: [PATCH] Manual: Fix formatting of links --- src/input_cp2k_colvar.F | 2 +- src/input_cp2k_global.F | 2 +- src/input_cp2k_mm.F | 2 +- src/input_cp2k_mp2.F | 4 ++-- src/input_cp2k_properties_dft.F | 10 +++++----- src/input_cp2k_thermostats.F | 2 +- src/input_cp2k_transport.F | 2 +- src/input_cp2k_xc.F | 6 +++--- src/start/input_cp2k_motion.F | 4 ++-- 9 files changed, 17 insertions(+), 17 deletions(-) diff --git a/src/input_cp2k_colvar.F b/src/input_cp2k_colvar.F index 419463a7a1..b8b5e58c01 100644 --- a/src/input_cp2k_colvar.F +++ b/src/input_cp2k_colvar.F @@ -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 .", & n_keywords=1, n_subsections=0, repeats=.FALSE.) NULLIFY (subsection, keyword) diff --git a/src/input_cp2k_global.F b/src/input_cp2k_global.F index 1da56d008c..4387104ef0 100644 --- a/src/input_cp2k_global.F +++ b/src/input_cp2k_global.F @@ -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 .")) CALL section_add_keyword(section, keyword) CALL keyword_release(keyword) diff --git a/src/input_cp2k_mm.F b/src/input_cp2k_mm.F index e2f8e34de9..96e51758b9 100644 --- a/src/input_cp2k_mm.F +++ b/src/input_cp2k_mm.F @@ -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) diff --git a/src/input_cp2k_mp2.F b/src/input_cp2k_mp2.F index 482d5ed2a5..b659260173 100644 --- a/src/input_cp2k_mp2.F +++ b/src/input_cp2k_mp2.F @@ -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", & diff --git a/src/input_cp2k_properties_dft.F b/src/input_cp2k_properties_dft.F index fc02561bbb..0347e730b0 100644 --- a/src/input_cp2k_properties_dft.F +++ b/src/input_cp2k_properties_dft.F @@ -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].", & + ". "// & + "For 2D materials, see .", & 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.", & + ". 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), "// & + ", "// & "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.) diff --git a/src/input_cp2k_thermostats.F b/src/input_cp2k_thermostats.F index 5f863d5df6..ae419c8829 100644 --- a/src/input_cp2k_thermostats.F +++ b/src/input_cp2k_thermostats.F @@ -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 .", & citations=(/Ceriotti2009, Ceriotti2009b/)) NULLIFY (keyword, subsection) diff --git a/src/input_cp2k_transport.F b/src/input_cp2k_transport.F index e187f8001f..ea9a213f5c 100644 --- a/src/input_cp2k_transport.F +++ b/src/input_cp2k_transport.F @@ -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 .", & citations=(/Bruck2014/), & n_keywords=29, n_subsections=4, repeats=.FALSE.) diff --git a/src/input_cp2k_xc.F b/src/input_cp2k_xc.F index c4b5cdb742..d87c0e34e0 100644 --- a/src/input_cp2k_xc.F +++ b/src/input_cp2k_xc.F @@ -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: "// & + ".", & usage="REFERENCE_FUNCTIONAL ", & type_of_var=char_t) CALL section_add_keyword(subsection, keyword) diff --git a/src/start/input_cp2k_motion.F b/src/start/input_cp2k_motion.F index 3b381796df..ac76b18c8c 100644 --- a/src/start/input_cp2k_motion.F +++ b/src/start/input_cp2k_motion.F @@ -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, .", & 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", & + ".", & repeats=.FALSE., default_lc_val="PIGLET.MAT") CALL section_add_keyword(subsection, keyword) CALL keyword_release(keyword)