diff --git a/doc/src/Build_basics.txt b/doc/src/Build_basics.txt index 6924e7341782e7e782300f4201c988dc4724763f..4b3a347bf1e2248ad1e362e8476b4442e6a0f5dc 100644 --- a/doc/src/Build_basics.txt +++ b/doc/src/Build_basics.txt @@ -292,6 +292,10 @@ This will create a lammps/doc/html dir with the HTML doc pages so that you can browse them locally on your system. Type "make" from the lammps/doc dir to see other options. +NOTE: You can also download a tarball of the documention for the +current LAMMPS version (HTML and PDF files), from the website +"download page"_http://lammps.sandia.gov/download.html. + :line Install LAMMPS after a build :h4,link(install) diff --git a/doc/src/Howto_client_server.txt b/doc/src/Howto_client_server.txt index 714c23f0669eed55eaa15e31f100d117e5e2448c..aa6b8eab769994ac6e718d4865329ce5a295c330 100644 --- a/doc/src/Howto_client_server.txt +++ b/doc/src/Howto_client_server.txt @@ -7,7 +7,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c :line -Using LAMMPS in client/server mode +Using LAMMPS in client/server mode :h3 Client/server coupling of two codes is where one code is the "client" and sends request messages to a "server" code. The server responds to @@ -61,7 +61,7 @@ client or server. "message"_message.html "fix client md"_fix_client_md.html = LAMMPS is a client for running MD "server md"_server_md.html = LAMMPS is a server for computing MD forces -"server mc"_server_mc.html = LAMMPS is a server for computing a Monte Carlo energy +"server mc"_server_mc.html = LAMMPS is a server for computing a Monte Carlo energy :ul The server doc files give details of the message protocols for data that is exchanged bewteen the client and server. @@ -119,7 +119,7 @@ For message exchange in {mpi/one} mode: Launch both codes in a single mpirun command: -mpirun -np 2 lmp_mpi -mpicolor 0 -in in.message.client -log log.client : -np 4 lmp_mpi -mpicolor 1 -in in.message.server -log log.server +mpirun -np 2 lmp_mpi -mpicolor 0 -in in.message.client -log log.client : -np 4 lmp_mpi -mpicolor 1 -in in.message.server -log log.server :pre The two -np values determine how many procs the client and the server run on. diff --git a/doc/src/Install_tarball.txt b/doc/src/Install_tarball.txt index b672c5ff252143a0484cd60025549c64878b127f..7ba5d15ac4af341d44fcd3e84c897365237e1543 100644 --- a/doc/src/Install_tarball.txt +++ b/doc/src/Install_tarball.txt @@ -7,7 +7,7 @@ Documentation"_ld - "LAMMPS Commands"_lc :c :line -Download source as a tarball :h3 +Download source and documentation as a tarball :h3 You can download a current LAMMPS tarball from the "download page"_download of the "LAMMPS website"_lws. @@ -22,6 +22,10 @@ few times per year, and undergo more testing before release. Patch releases occur a couple times per month. The new contents in all releases are listed on the "bug and feature page"_bug of the website. +Both tarballs include LAMMPS documentation (HTML and PDF files) +corresponding to that version. The download page also has an option +to download the current-version LAMMPS documentation by itself. + Older versions of LAMMPS can also be downloaded from "this page"_older. diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt index 443d78922c5ec161c209feadff8b8329b9868977..494f393a16906b4f4436d133d45210fb144505f7 100644 --- a/doc/src/Packages_details.txt +++ b/doc/src/Packages_details.txt @@ -46,6 +46,7 @@ as contained in the file name. "MANYBODY"_#PKG-MANYBODY, "MC"_#PKG-MC, "MEAM"_#PKG-MEAM, +"MESSAGE"_#PKG-MESSAGE, "MISC"_#PKG-MISC, "MOLECULE"_#PKG-MOLECULE, "MPIIO"_#PKG-MPIIO, @@ -92,7 +93,7 @@ as contained in the file name. "USER-QTB"_#PKG-USER-QTB, "USER-QUIP"_#PKG-USER-QUIP, "USER-REAXC"_#PKG-USER-REAXC, -"USER-SCAFACOS"_#USER-SCAFACOS, +"USER-SCAFACOS"_#PKG-USER-SCAFACOS, "USER-SMD"_#PKG-USER-SMD, "USER-SMTBQ"_#PKG-USER-SMTBQ, "USER-SPH"_#PKG-USER-SPH, @@ -1860,7 +1861,7 @@ examples/reax :ul :line -USER-SCAFACOS package :link(USER-SCAFACOS),h4 +USER-SCAFACOS package :link(PKG-USER-SCAFACOS),h4 [Contents:] diff --git a/doc/src/server_mc.txt b/doc/src/server_mc.txt index 53ccfc8ecd4b1a1f9322fc21182a8666e6aae832..58ca415be3b3c0e9e0be333cba42b7a0df26c49d 100644 --- a/doc/src/server_mc.txt +++ b/doc/src/server_mc.txt @@ -63,7 +63,7 @@ See the src/MESSAGE/server_mc.cpp file for details on how LAMMPS uses these messages. See the examples/COUPLE/lammmps_mc/mc.cpp file for an example of how an MC driver code can use these messages. -Let NATOMS=1, EINIT=2, DISPLACE=3, ACCEPT=4, RUN=5. +Define NATOMS=1, EINIT=2, DISPLACE=3, ACCEPT=4, RUN=5. [Client sends one of these kinds of message]: @@ -93,9 +93,9 @@ cs->pack(2,3*natoms,x) # 2nd field = 3N coords of Natoms :pre cs->send(DISPLACE,1) # msgID = 3 with 1 field cs->pack_double(1,poteng) # 1st field = new potential energy of system :pre -cs->send(ACCEPT,0) # msgID = 4 with no fields +cs->send(ACCEPT,0) # msgID = 4 with no fields :pre -cs->send(RUN,0) # msgID = 5 with no fields +cs->send(RUN,0) # msgID = 5 with no fields :pre :line diff --git a/doc/src/server_md.txt b/doc/src/server_md.txt index 0db7bbe16b9422f55997c3f4c7446929c58ac585..753542dc75b9cd90db45a55b42f35f862e8f8ede 100644 --- a/doc/src/server_md.txt +++ b/doc/src/server_md.txt @@ -51,9 +51,9 @@ can complete the timestep. This command could also be used with a client code that performs energy minimization, using the server to compute forces and energy each iteration of its minimizer. -When using the "fix client/md" command, LAMMPS (as the client code) -does the timestepping and receives needed energy, forces, and pressure -values from the server code. +When using the "fix client/md"_fix_client_md.html command, LAMMPS (as +the client code) does the timestepping and receives needed energy, +forces, and pressure values from the server code. The format and content of the exchanged messages are explained here in a conceptual sense. Python-style pseudo code for the library calls to @@ -69,9 +69,11 @@ a quantum code (VASP) can use use these messages. The following pseudo-code uses these values, defined as enums. -enum{SETUP=1,STEP}; -enum{DIM=1,PERIODICITY,ORIGIN,BOX,NATOMS,NTYPES,TYPES,COORDS,UNITS,CHARGE}; -enum{FORCES=1,ENERGY,PRESSURE,ERROR}; :pre +Define: + +SETUP=1, STEP=2 +DIM=1, PERIODICITY=2, ORIGIN=3, BOX=4, NATOMS=5, NTYPES=6, TYPES=7, COORDS=8, UNITS-9, CHARGE=10 +FORCES=1, ENERGY=2, PRESSURE=3, ERROR=4 :pre [Client sends 2 kinds of messages]: @@ -98,7 +100,7 @@ cs->send(STEP,nfields) # msgID with nfields :pre cs->pack(COORDS,3*natoms,x) # vector of 3N atom coords cs->pack(ORIGIN,3,origin) # lower-left corner of simulation box -cs->pack(BOX,9,box) # 3 edge vectors of simulation box +cs->pack(BOX,9,box) # 3 edge vectors of simulation box :pre [Server replies to either kind of message]: