diff --git a/doc/src/server_mc.txt b/doc/src/server_mc.txt index 94545c8732..fba969d9ce 100644 --- a/doc/src/server_mc.txt +++ b/doc/src/server_mc.txt @@ -56,8 +56,7 @@ a conceptual sense. Python-style pseudo code for the library calls to the CSlib is shown, which performs the actual message exchange between the two codes. See the "CSlib website"_http://cslib.sandia.gov doc pages for more details on the actual library syntax. The "cs" object -in this pseudo code is an instance of the CSlib that both the client -and server codes store. +in this pseudo code is a pointer to an instance of the CSlib. 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 @@ -67,35 +66,35 @@ Let NATOMS=1, EINIT=2, DISPLACE=3, ACCEPT=4, RUN=5. [Client sends one of these kinds of message]: -cs.send(NATOMS,0) # msgID = 1 with no fields :pre +cs->send(NATOMS,0) # msgID = 1 with no fields :pre -cs.send(EINIT,0) # msgID = 2 with no fields :pre +cs->send(EINIT,0) # msgID = 2 with no fields :pre -cs.send(DISPLACE,2) # msgID = 3 with 2 fields -cs.pack(1,1,ID) # 1st field = ID of atom to displace -cs.pack(2,3,xnew) # 2nd field = new xyz coords of displaced atom :pre +cs->send(DISPLACE,2) # msgID = 3 with 2 fields +cs->pack(1,1,ID) # 1st field = ID of atom to displace +cs->pack(2,3,xnew) # 2nd field = new xyz coords of displaced atom :pre -cs.send(ACCEPT,1) # msgID = 4 with 1 field -cs.pack(1,1,flag) # 1st field = accept/reject flag :pre +cs->send(ACCEPT,1) # msgID = 4 with 1 field +cs->pack(1,1,flag) # 1st field = accept/reject flag :pre -cs.send(RUN,1) # msgID = 5 with 1 field -cs.pack(1,1,nsteps) # 1st field = # of timesteps to run MD :pre +cs->send(RUN,1) # msgID = 5 with 1 field +cs->pack(1,1,nsteps) # 1st field = # of timesteps to run MD :pre [Server replies]: -cs.send(NATOMS,1) # msgID = 1 with 1 field -cs.pack(1,1,Natoms) # 1st field = number of atoms :pre +cs->send(NATOMS,1) # msgID = 1 with 1 field +cs->pack(1,1,Natoms) # 1st field = number of atoms :pre -cs.send(EINIT,2) # msgID = 2 with 2 fields -cs.pack(1,1,poteng) # 1st field = potential energy of system -cs.pack(2,3*Natoms,x) # 2nd field = 3N coords of Natoms :pre +cs->send(EINIT,2) # msgID = 2 with 2 fields +cs->pack(1,1,poteng) # 1st field = potential energy of system +cs->pack(2,3*Natoms,x) # 2nd field = 3N coords of Natoms :pre -cs.send(DISPLACE,1) # msgID = 3 with 1 field -cs.pack(1,1,poteng) # 1st field = new potential energy of system :pre +cs->send(DISPLACE,1) # msgID = 3 with 1 field +cs->pack(1,1,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 -cs.send(RUN,0) # msgID = 5 with no fields +cs->send(RUN,0) # msgID = 5 with no fields :line diff --git a/doc/src/server_md.txt b/doc/src/server_md.txt index 66534c1ad6..8c5d83bfb8 100644 --- a/doc/src/server_md.txt +++ b/doc/src/server_md.txt @@ -59,8 +59,7 @@ a conceptual sense. Python-style pseudo code for the library calls to the CSlib is shown, which performs the actual message exchange between the two codes. See the "CSlib website"_http://cslib.sandia.gov doc pages for more details on the actual library syntax. The "cs" object -in this pseudo code is an instance of the CSlib that both the client -and server codes store. +in this pseudo code is a pointer to an instance of the CSlib. See the src/MESSAGE/server_md.cpp and src/MESSAGE/fix_client_md.cpp files for details on how LAMMPS uses these messages. See the @@ -78,34 +77,34 @@ enum{FORCES=1,ENERGY,VIRIAL}; :pre # required fields: NATOMS, NTYPES, BOXLO, BOXHI, TYPES, COORDS # optional fields: others in 2nd enum above :pre -cs.send(SETUP,nfields) # msgID with nfields :pre +cs->send(SETUP,nfields) # msgID with nfields :pre -cs.pack_string(UNITS,units) # units = "lj", "real", "metal", etc -cs.pack_int(NATOMS,natoms) # total numer of atoms -cs.pack_int(NTYPES,ntypes) # number of atom types -cs.pack(BOXLO,3,boxlo) # 3-vector of lower box bounds -cs.pack(BOXHI,3,boxhi) # 3-vector of upper box bounds -cs.pack(BOXTILT,3,boxtilt) # 3-vector of tilt factors for triclinic boxes -cs.pack(TYPES,natoms,type) # vector of per-atom types -cs.pack(COORDS,3*natoms,x) # vector of 3N atom coords -cs.pack(CHARGE,natoms,q) # vector of per-atom charge :pre +cs->pack_string(UNITS,units) # units = "lj", "real", "metal", etc +cs->pack_int(NATOMS,natoms) # total numer of atoms +cs->pack_int(NTYPES,ntypes) # number of atom types +cs->pack(BOXLO,3,boxlo) # 3-vector of lower box bounds +cs->pack(BOXHI,3,boxhi) # 3-vector of upper box bounds +cs->pack(BOXTILT,3,boxtilt) # 3-vector of tilt factors for triclinic boxes +cs->pack(TYPES,natoms,type) # vector of per-atom types +cs->pack(COORDS,3*natoms,x) # vector of 3N atom coords +cs->pack(CHARGE,natoms,q) # vector of per-atom charge :pre # required fields: COORDS # optional fields: BOXLO, BOXHI, BOXTILT :pre -cs.send(STEP,nfields) # msgID with nfields :pre +cs->send(STEP,nfields) # msgID with nfields :pre -cs.pack_int(NATOMS,natoms) # total numer of atoms -cs.pack_int(NTYPES,ntypes) # number of atom types -cs.pack(BOXLO,3,boxlo) # 3-vector of lower box bounds -cs.pack(BOXTILT,3,boxtilt) # 3-vector of tilt factors for triclinic boxes :pre +cs->pack_int(NATOMS,natoms) # total numer of atoms +cs->pack_int(NTYPES,ntypes) # number of atom types +cs->pack(BOXLO,3,boxlo) # 3-vector of lower box bounds +cs->pack(BOXTILT,3,boxtilt) # 3-vector of tilt factors for triclinic boxes :pre [Server replies to either kind of message]: -cs.send(msgID,3) # msgID = 1 with 3 fields -cs.pack(FORCES,3*Natoms,f) # vector of 3N forces on atoms -cs.pack(ENERGY,1,poteng) # total potential energy of system -cs.pack(VIRIAL,6,virial) # global virial tensor (6-vector) :pre +cs->send(msgID,3) # msgID = 1 with 3 fields +cs->pack(FORCES,3*Natoms,f) # vector of 3N forces on atoms +cs->pack(ENERGY,1,poteng) # total potential energy of system +cs->pack(VIRIAL,6,virial) # global virial tensor (6-vector) :pre :line diff --git a/lib/message/README b/lib/message/README index c93ae81104..dafb94e9ef 100644 --- a/lib/message/README +++ b/lib/message/README @@ -4,7 +4,7 @@ in a LAMMPS input script. The CSlib libary is included in the LAMMPS distribution. A fuller version including documentation and test programs is available at -http:cslib.sandia.gov and was developed by Steve Plimpton at Sandia +http://cslib.sandia.gov. It was developed by Steve Plimpton at Sandia National Laboratories. You can type "make lib-message" from the src directory to see help on @@ -16,7 +16,7 @@ The CSlib can be optionally built with support for sockets using the open-source ZeroMQ (ZMQ) library. If it is not installed on your system, it is easy to download and install. -Go to this website: http://zeromq.org +Go to the ZMQ website for details: http://zeromq.org -----------------