From 06c8a672477b2275cb4bd06723a23e7f9c296bb9 Mon Sep 17 00:00:00 2001 From: Agilio Padua <agilio.padua@gmail.com> Date: Thu, 24 Jan 2019 17:10:39 +0100 Subject: [PATCH] Updated broken links to pair_fep_soft --- doc/src/Commands_pair.txt | 21 ++++++++++++--------- doc/src/Packages_details.txt | 2 +- doc/src/compute_fep.txt | 10 +++++----- doc/src/fix_adapt_fep.txt | 10 +++++----- doc/src/pair_style.txt | 19 +++++++++++-------- doc/src/pairs.txt | 2 +- 6 files changed, 35 insertions(+), 29 deletions(-) diff --git a/doc/src/Commands_pair.txt b/doc/src/Commands_pair.txt index 46f4950ad7..8e09284907 100644 --- a/doc/src/Commands_pair.txt +++ b/doc/src/Commands_pair.txt @@ -63,13 +63,13 @@ OPT. "comb (o)"_pair_comb.html, "comb3"_pair_comb.html, "coul/cut (gko)"_pair_coul.html, -"coul/cut/soft (o)"_pair_lj_soft.html, +"coul/cut/soft (o)"_pair_fep_soft.html, "coul/debye (gko)"_pair_coul.html, "coul/diel (o)"_pair_coul_diel.html, "coul/dsf (gko)"_pair_coul.html, "coul/long (gko)"_pair_coul.html, "coul/long/cs (g)"_pair_cs.html, -"coul/long/soft (o)"_pair_lj_soft.html, +"coul/long/soft (o)"_pair_fep_soft.html, "coul/msm (o)"_pair_coul.html, "coul/shield"_pair_coul_shield.html, "coul/streitz"_pair_coul.html, @@ -114,32 +114,35 @@ OPT. "lj/charmm/coul/charmm (iko)"_pair_charmm.html, "lj/charmm/coul/charmm/implicit (ko)"_pair_charmm.html, "lj/charmm/coul/long (gikot)"_pair_charmm.html, -"lj/charmm/coul/long/soft (o)"_pair_lj_soft.html, +"lj/charmm/coul/long/soft (o)"_pair_fep_soft.html, "lj/charmm/coul/msm (o)"_pair_charmm.html, "lj/charmmfsw/coul/charmmfsh"_pair_charmm.html, "lj/charmmfsw/coul/long"_pair_charmm.html, "lj/class2 (gko)"_pair_class2.html, "lj/class2/coul/cut (ko)"_pair_class2.html, +"lj/class2/coul/cut/soft"_pair_fep_soft.html, "lj/class2/coul/long (gko)"_pair_class2.html, +"lj/class2/coul/long/soft"_pair_fep_soft.html, +"lj/class2/soft"_pair_fep_soft.html, "lj/cubic (go)"_pair_lj_cubic.html, "lj/cut (gikot)"_pair_lj.html, "lj/cut/coul/cut (gko)"_pair_lj.html, -"lj/cut/coul/cut/soft (o)"_pair_lj_soft.html, +"lj/cut/coul/cut/soft (o)"_pair_fep_soft.html, "lj/cut/coul/debye (gko)"_pair_lj.html, "lj/cut/coul/dsf (gko)"_pair_lj.html, "lj/cut/coul/long (gikot)"_pair_lj.html, "lj/cut/coul/long/cs"_pair_cs.html, -"lj/cut/coul/long/soft (o)"_pair_lj_soft.html, +"lj/cut/coul/long/soft (o)"_pair_fep_soft.html, "lj/cut/coul/msm (go)"_pair_lj.html, "lj/cut/coul/wolf (o)"_pair_lj.html, "lj/cut/dipole/cut (go)"_pair_dipole.html, "lj/cut/dipole/long (g)"_pair_dipole.html, "lj/cut/dipole/sf (go)"_pair_dipole.html, -"lj/cut/soft (o)"_pair_lj_soft.html, +"lj/cut/soft (o)"_pair_fep_soft.html, "lj/cut/thole/long (o)"_pair_thole.html, "lj/cut/tip4p/cut (o)"_pair_lj.html, "lj/cut/tip4p/long (ot)"_pair_lj.html, -"lj/cut/tip4p/long/soft (o)"_pair_lj_soft.html, +"lj/cut/tip4p/long/soft (o)"_pair_fep_soft.html, "lj/expand (gko)"_pair_lj_expand.html, "lj/expand/coul/long (g)"_pair_lj_expand.html, "lj/gromacs (gko)"_pair_gromacs.html, @@ -169,7 +172,7 @@ OPT. "momb"_pair_momb.html, "morse (gkot)"_pair_morse.html, "morse/smooth/linear (o)"_pair_morse.html, -"morse/soft"_pair_morse.html, +"morse/soft"_pair_fep_soft.html, "multi/lucy"_pair_multi_lucy.html, "multi/lucy/rx (k)"_pair_multi_lucy_rx.html, "nb3b/harmonic"_pair_nb3b_harmonic.html, @@ -229,7 +232,7 @@ OPT. "thole"_pair_thole.html, "tip4p/cut (o)"_pair_coul.html, "tip4p/long (o)"_pair_coul.html, -"tip4p/long/soft (o)"_pair_lj_soft.html, +"tip4p/long/soft (o)"_pair_fep_soft.html, "tri/lj"_pair_tri_lj.html, "ufm (got)"_pair_ufm.html, "vashishta (gko)"_pair_vashishta.html, diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt index 4768c50ca4..0a7facc22a 100644 --- a/doc/src/Packages_details.txt +++ b/doc/src/Packages_details.txt @@ -1305,7 +1305,7 @@ src/USER-FEP: filenames -> commands src/USER-FEP/README "fix adapt/fep"_fix_adapt_fep.html "compute fep"_compute_fep.html -"pair_style */soft"_pair_lj_soft.html +"pair_style */soft"_pair_fep_soft.html examples/USER/fep tools/fep/README tools/fep :ul diff --git a/doc/src/compute_fep.txt b/doc/src/compute_fep.txt index 772b464d18..9241e5b5a8 100644 --- a/doc/src/compute_fep.txt +++ b/doc/src/compute_fep.txt @@ -137,20 +137,20 @@ the meaning of these parameters: "buck"_pair_buck.html: a,c: type pairs: "buck/mdf"_pair_mdf.html: aparm,cparm: type pairs: "coul/cut"_pair_coul.html: scale: type pairs: -"coul/cut/soft"_pair_lj_soft.html: lambda: type pairs: +"coul/cut/soft"_pair_fep_soft.html: lambda: type pairs: "coul/long, coul/msm"_pair_coul.html: scale: type pairs: -"coul/long/soft"_pair_lj_soft.html: scale, lambda: type pairs: +"coul/long/soft"_pair_fep_soft.html: scale, lambda: type pairs: "eam"_pair_eam.html: scale: type pairs: "gauss"_pair_gauss.html: a: type pairs: "lennard/mdf"_pair_mdf.html: aparm,bparm: type pairs: "lj/class2"_pair_class2.html: epsilon,sigma: type pairs: "lj/class2/coul/cut, lj/class2/coul/long"_pair_class2.html: epsilon,sigma: type pairs: "lj/cut"_pair_lj.html: epsilon,sigma: type pairs: -"lj/cut/soft"_pair_lj_soft.html: epsilon,sigma,lambda: type pairs: +"lj/cut/soft"_pair_fep_soft.html: epsilon,sigma,lambda: type pairs: "lj/cut/coul/cut, lj/cut/coul/long, lj/cut/coul/msm"_pair_lj.html: epsilon,sigma: type pairs: -"lj/cut/coul/cut/soft, lj/cut/coul/long/soft"_pair_lj_soft.html: epsilon,sigma,lambda: type pairs: +"lj/cut/coul/cut/soft, lj/cut/coul/long/soft"_pair_fep_soft.html: epsilon,sigma,lambda: type pairs: "lj/cut/tip4p/cut, lj/cut/tip4p/long"_pair_lj.html: epsilon,sigma: type pairs: -"lj/cut/tip4p/long/soft"_pair_lj_soft.html: epsilon,sigma,lambda: type pairs: +"lj/cut/tip4p/long/soft"_pair_fep_soft.html: epsilon,sigma,lambda: type pairs: "lj/expand"_pair_lj_expand.html: epsilon,sigma,delta: type pairs: "lj/mdf"_pair_mdf.html: epsilon,sigma: type pairs: "lj/sf/dipole/sf"_pair_dipole.html: epsilon,sigma,scale: type pairs: diff --git a/doc/src/fix_adapt_fep.txt b/doc/src/fix_adapt_fep.txt index 21cf089a9f..8f94a1a38c 100644 --- a/doc/src/fix_adapt_fep.txt +++ b/doc/src/fix_adapt_fep.txt @@ -116,20 +116,20 @@ styles and their energy formulas for the meaning of these parameters: "buck"_pair_buck.html: a,c: type pairs: "buck/mdf"_pair_mdf.html: aparm,cparm: type pairs: "coul/cut"_pair_coul.html: scale: type pairs: -"coul/cut/soft"_pair_lj_soft.html: lambda: type pairs: +"coul/cut/soft"_pair_fep_soft.html: lambda: type pairs: "coul/long, coul/msm"_pair_coul.html: scale: type pairs: -"coul/long/soft"_pair_lj_soft.html: scale, lambda: type pairs: +"coul/long/soft"_pair_fep_soft.html: scale, lambda: type pairs: "eam"_pair_eam.html: scale: type pairs: "gauss"_pair_gauss.html: a: type pairs: "lennard/mdf"_pair_mdf.html: aparm,bparm: type pairs: "lj/class2"_pair_class2.html: epsilon,sigma: type pairs: "lj/class2/coul/cut, lj/class2/coul/long"_pair_class2.html: epsilon,sigma: type pairs: "lj/cut"_pair_lj.html: epsilon,sigma: type pairs: -"lj/cut/soft"_pair_lj_soft.html: epsilon,sigma,lambda: type pairs: +"lj/cut/soft"_pair_fep_soft.html: epsilon,sigma,lambda: type pairs: "lj/cut/coul/cut, lj/cut/coul/long, lj/cut/coul/msm"_pair_lj.html: epsilon,sigma: type pairs: -"lj/cut/coul/cut/soft, lj/cut/coul/long/soft"_pair_lj_soft.html: epsilon,sigma,lambda: type pairs: +"lj/cut/coul/cut/soft, lj/cut/coul/long/soft"_pair_fep_soft.html: epsilon,sigma,lambda: type pairs: "lj/cut/tip4p/cut, lj/cut/tip4p/long"_pair_lj.html: epsilon,sigma: type pairs: -"lj/cut/tip4p/long/soft"_pair_lj_soft.html: epsilon,sigma,lambda: type pairs: +"lj/cut/tip4p/long/soft"_pair_fep_soft.html: epsilon,sigma,lambda: type pairs: "lj/expand"_pair_lj_expand.html: epsilon,sigma,delta: type pairs: "lj/mdf"_pair_mdf.html: epsilon,sigma: type pairs: "lj/sf/dipole/sf"_pair_dipole.html: epsilon,sigma,scale: type pairs: diff --git a/doc/src/pair_style.txt b/doc/src/pair_style.txt index 714ec55d2e..17dd4e375a 100644 --- a/doc/src/pair_style.txt +++ b/doc/src/pair_style.txt @@ -130,13 +130,13 @@ accelerated styles exist. "comb"_pair_comb.html - charge-optimized many-body (COMB) potential "comb3"_pair_comb.html - charge-optimized many-body (COMB3) potential "coul/cut"_pair_coul.html - cutoff Coulombic potential -"coul/cut/soft"_pair_lj_soft.html - Coulombic potential with a soft core +"coul/cut/soft"_pair_fep_soft.html - Coulombic potential with a soft core "coul/debye"_pair_coul.html - cutoff Coulombic potential with Debye screening "coul/diel"_pair_coul_diel.html - Coulomb potential with dielectric permittivity "coul/dsf"_pair_coul.html - Coulombics with damped-shifted-force model "coul/long"_pair_coul.html - long-range Coulombic potential "coul/long/cs"_pair_cs.html - long-range Coulombic potential and core/shell -"coul/long/soft"_pair_lj_soft.html - long-range Coulombic potential with a soft core +"coul/long/soft"_pair_fep_soft.html - long-range Coulombic potential with a soft core "coul/msm"_pair_coul.html - long-range MSM Coulombics "coul/shield"_pair_coul_shield.html - Coulombics for boron nitride for use with "ilp/graphene/hbn"_pair_ilp_graphene_hbn.html potential "coul/streitz"_pair_coul.html - Coulombics via Streitz/Mintmire Slater orbitals @@ -181,31 +181,34 @@ accelerated styles exist. "lj/charmm/coul/charmm"_pair_charmm.html - CHARMM potential with cutoff Coulomb "lj/charmm/coul/charmm/implicit"_pair_charmm.html - CHARMM for implicit solvent "lj/charmm/coul/long"_pair_charmm.html - CHARMM with long-range Coulomb -"lj/charmm/coul/long/soft"_pair_lj_soft.html - CHARMM with long-range Coulomb and a soft core +"lj/charmm/coul/long/soft"_pair_fep_soft.html - CHARMM with long-range Coulomb and a soft core "lj/charmm/coul/msm"_pair_charmm.html - CHARMM with long-range MSM Coulombics "lj/charmmfsw/coul/charmmfsh"_pair_charmm.html - CHARMM with force switching and shifting "lj/charmmfsw/coul/long"_pair_charmm.html - CHARMM with force switching and long-rnage Coulombics "lj/class2"_pair_class2.html - COMPASS (class 2) force field with no Coulomb "lj/class2/coul/cut"_pair_class2.html - COMPASS with cutoff Coulomb +"lj/class2/coul/cut/soft"_pair_fep_soft.html - COMPASS with cutoff Coulomb with a soft core "lj/class2/coul/long"_pair_class2.html - COMPASS with long-range Coulomb +"lj/class2/coul/long/soft"_pair_fep_soft.html - COMPASS with long-range Coulomb with a soft core +"lj/class2/soft"_pair_fep_soft.html - COMPASS (class 2) force field with no Coulomb with a soft core "lj/cubic"_pair_lj_cubic.html - LJ with cubic after inflection point "lj/cut"_pair_lj.html - cutoff Lennard-Jones potential with no Coulomb "lj/cut/coul/cut"_pair_lj.html - LJ with cutoff Coulomb -"lj/cut/coul/cut/soft"_pair_lj_soft.html - LJ with cutoff Coulomb with a soft core +"lj/cut/coul/cut/soft"_pair_fep_soft.html - LJ with cutoff Coulomb with a soft core "lj/cut/coul/debye"_pair_lj.html - LJ with Debye screening added to Coulomb "lj/cut/coul/dsf"_pair_lj.html - LJ with Coulombics via damped shifted forces "lj/cut/coul/long"_pair_lj.html - LJ with long-range Coulombics "lj/cut/coul/long/cs"_pair_cs.html - ditto with core/shell adjustments -"lj/cut/coul/long/soft"_pair_lj_soft.html - LJ with long-range Coulombics with a soft core +"lj/cut/coul/long/soft"_pair_fep_soft.html - LJ with long-range Coulombics with a soft core "lj/cut/coul/msm"_pair_lj.html - LJ with long-range MSM Coulombics "lj/cut/coul/wolf"_pair_lj.html - LJ with Coulombics via Wolf potential "lj/cut/dipole/cut"_pair_dipole.html - point dipoles with cutoff "lj/cut/dipole/long"_pair_dipole.html - point dipoles with long-range Ewald -"lj/cut/soft"_pair_lj_soft.html - LJ with a soft core +"lj/cut/soft"_pair_fep_soft.html - LJ with a soft core "lj/cut/thole/long"_pair_thole.html - LJ with Coulombics with thole damping "lj/cut/tip4p/cut"_pair_lj.html - LJ with cutoff Coulomb for TIP4P water "lj/cut/tip4p/long"_pair_lj.html - LJ with long-range Coulomb for TIP4P water -"lj/cut/tip4p/long/soft"_pair_lj_soft.html - LJ with cutoff Coulomb for TIP4P water with a soft core +"lj/cut/tip4p/long/soft"_pair_fep_soft.html - LJ with cutoff Coulomb for TIP4P water with a soft core "lj/expand"_pair_lj_expand.html - Lennard-Jones for variable size particles "lj/expand/coul/long"_pair_lj_expand.html - Lennard-Jones for variable size particles with long-range Coulombics "lj/gromacs"_pair_gromacs.html - GROMACS-style Lennard-Jones potential @@ -294,7 +297,7 @@ accelerated styles exist. "thole"_pair_thole.html - Coulomb interactions with thole damping "tip4p/cut"_pair_coul.html - Coulomb for TIP4P water w/out LJ "tip4p/long"_pair_coul.html - long-range Coulombics for TIP4P water w/out LJ -"tip4p/long/soft"_pair_lj_soft.html - +"tip4p/long/soft"_pair_fep_soft.html - "tri/lj"_pair_tri_lj.html - LJ potential between triangles "ufm"_pair_ufm.html - "vashishta"_pair_vashishta.html - Vashishta 2-body and 3-body potential diff --git a/doc/src/pairs.txt b/doc/src/pairs.txt index 2810252402..4ab0c33c16 100644 --- a/doc/src/pairs.txt +++ b/doc/src/pairs.txt @@ -38,6 +38,7 @@ Pair Styles :h1 pair_eim pair_exp6_rx pair_extep + pair_fep_soft pair_gauss pair_gayberne pair_gran @@ -60,7 +61,6 @@ Pair Styles :h1 pair_lj_long pair_lj_smooth pair_lj_smooth_linear - pair_lj_soft pair_lubricate pair_lubricateU pair_mdf -- GitLab