diff --git a/README b/README index c19866a4f5..a2abafee08 100644 --- a/README +++ b/README @@ -1,4 +1,4 @@ -This is the LAMMPS (22 Jan 2008) software package. +This is the LAMMPS (21 May 2008) software package. LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. @@ -21,7 +21,7 @@ at sjplimp@sandia.gov. The LAMMPS WWW Site at www.cs.sandia.gov/~sjplimp/lammps.html has more information about the code and its uses. -The LAMMPS (22 Jan 2008) distribution includes the following files +The LAMMPS (21 May 2008) distribution includes the following files and directories: README this file diff --git a/doc/Manual.html b/doc/Manual.html index a41c6d0b0a..585e4aaf86 100644 --- a/doc/Manual.html +++ b/doc/Manual.html @@ -22,7 +22,7 @@
LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. diff --git a/doc/Manual.pdf b/doc/Manual.pdf index 871c88ca8a..b41ab576df 100644 Binary files a/doc/Manual.pdf and b/doc/Manual.pdf differ diff --git a/doc/Manual.txt b/doc/Manual.txt index bf86a3730a..405c52773b 100644 --- a/doc/Manual.txt +++ b/doc/Manual.txt @@ -19,7 +19,7 @@ LAMMPS Documentation :c,h3 -(22 Jan 2008 version of LAMMPS) :c +(21 May 2008 version of LAMMPS) :c LAMMPS stands for Large-scale Atomic/Molecular Massively Parallel Simulator. diff --git a/doc/Section_tools.txt b/doc/Section_tools.txt index 2041bf071a..934590b382 100644 --- a/doc/Section_tools.txt +++ b/doc/Section_tools.txt @@ -39,7 +39,7 @@ to edit for your platform) which will build several of the tools which reside in that directory. Some of them are larger packages in their own sub-directories with their own Makefiles. -"amber2lammps"_#amber +"amber2lmp"_#amber "binary2txt"_#binary "ch2lmp"_#charmm "chain"_#chain diff --git a/doc/compute_modify.html b/doc/compute_modify.html index 8ca891cc89..a659a4416e 100644 --- a/doc/compute_modify.html +++ b/doc/compute_modify.html @@ -43,8 +43,9 @@ all compute styles support all parameters.
The extra keyword refers to how many degrees-of-freedom are subtracted (typically from 3N) as a normalizing factor in a temperature computation. Only computes that compute a temperature use -this option. The default is 3 which is a correction factor for an -ensemble of velocities with zero total linear momentum. +this option. The default is 2 or 3 for 2d or 3d +systems which is a correction factor for an ensemble +of velocities with zero total linear momentum.
The dynamic keyword determines whether the number of atoms N in the compute group is re-computed each time a temperature is computed. @@ -69,8 +70,8 @@ fixes for details.
Default:
-The option defaults are extra = 3 and dynamic = no. Thermo is yes if -the compute of style pe was defined with no extra keywords; otherwise -it is no. +
The option defaults are extra = 2 or 3 for 2d or 3d systems and +dynamic = no. Thermo is yes if the compute of style pe was +defined with no extra keywords; otherwise it is no.