Loading doc/compute_ackland_atom.html +5 −5 Original line number Diff line number Diff line Loading @@ -37,11 +37,11 @@ Analysis metric is made in the paper. <P>The result is a number which is mapped to the following different lattice structures: </P> <UL><LI>1 = UNKNOWN <LI>2 = BCC <LI>3 = FCC <LI>4 = HCP <LI>5 = ICO <UL><LI>0 = UNKNOWN <LI>1 = BCC <LI>2 = FCC <LI>3 = HCP <LI>4 = ICO </UL> <P>The neighbor list needed to compute this quantity is constructed each time the calculation is performed (i.e. each time a snapshot of atoms Loading doc/compute_ackland_atom.txt +5 −5 Original line number Diff line number Diff line Loading @@ -34,11 +34,11 @@ Analysis metric is made in the paper. The result is a number which is mapped to the following different lattice structures: 1 = UNKNOWN 2 = BCC 3 = FCC 4 = HCP 5 = ICO :ul 0 = UNKNOWN 1 = BCC 2 = FCC 3 = HCP 4 = ICO :ul The neighbor list needed to compute this quantity is constructed each time the calculation is performed (i.e. each time a snapshot of atoms Loading doc/pair_eam.html +6 −6 Original line number Diff line number Diff line Loading @@ -65,11 +65,11 @@ of the run time). <P>The cutoff distance and the tabulated values of the functionals F, rho, and phi are listed in one or more files which are specified by the <A HREF = "pair_coeff.html">pair_coeff</A> command. These are ASCII text files in a DYNAMO-style format which is described below. DYNAMO is a serial MD code. Several DYNAMO potential files for different metals are included in the "potentials" directory of the LAMMPS distribution. All of these files are parameterized in terms of LAMMPS <A HREF = "units.html">metal units</A>. in a DYNAMO-style format which is described below. DYNAMO was the original serial EAM MD code, written by the EAM originators. Several DYNAMO potential files for different metals are included in the "potentials" directory of the LAMMPS distribution. All of these files are parameterized in terms of LAMMPS <A HREF = "units.html">metal units</A>. </P> <P>IMPORTANT NOTE: The <I>eam</I> style reads single-element EAM potentials in the DYNAMO <I>funcfl</I> format. Either single element or alloy systems Loading @@ -82,7 +82,7 @@ as described below. These files require no mixing since they specify alloy interactions explicitly. </P> <P>There are several WWW sites that distribute and document EAM potentials stored in either the original DYNAMO or other formats: potentials stored in DYNAMO or other formats: </P> <PRE>http://www.ctcms.nist.gov/potentials http://cst-www.nrl.navy.mil/ccm6/ap Loading doc/pair_eam.txt +6 −6 Original line number Diff line number Diff line Loading @@ -57,11 +57,11 @@ of the run time). The cutoff distance and the tabulated values of the functionals F, rho, and phi are listed in one or more files which are specified by the "pair_coeff"_pair_coeff.html command. These are ASCII text files in a DYNAMO-style format which is described below. DYNAMO is a serial MD code. Several DYNAMO potential files for different metals are included in the "potentials" directory of the LAMMPS distribution. All of these files are parameterized in terms of LAMMPS "metal units"_units.html. in a DYNAMO-style format which is described below. DYNAMO was the original serial EAM MD code, written by the EAM originators. Several DYNAMO potential files for different metals are included in the "potentials" directory of the LAMMPS distribution. All of these files are parameterized in terms of LAMMPS "metal units"_units.html. IMPORTANT NOTE: The {eam} style reads single-element EAM potentials in the DYNAMO {funcfl} format. Either single element or alloy systems Loading @@ -74,7 +74,7 @@ as described below. These files require no mixing since they specify alloy interactions explicitly. There are several WWW sites that distribute and document EAM potentials stored in either the original DYNAMO or other formats: potentials stored in DYNAMO or other formats: http://www.ctcms.nist.gov/potentials http://cst-www.nrl.navy.mil/ccm6/ap Loading Loading
doc/compute_ackland_atom.html +5 −5 Original line number Diff line number Diff line Loading @@ -37,11 +37,11 @@ Analysis metric is made in the paper. <P>The result is a number which is mapped to the following different lattice structures: </P> <UL><LI>1 = UNKNOWN <LI>2 = BCC <LI>3 = FCC <LI>4 = HCP <LI>5 = ICO <UL><LI>0 = UNKNOWN <LI>1 = BCC <LI>2 = FCC <LI>3 = HCP <LI>4 = ICO </UL> <P>The neighbor list needed to compute this quantity is constructed each time the calculation is performed (i.e. each time a snapshot of atoms Loading
doc/compute_ackland_atom.txt +5 −5 Original line number Diff line number Diff line Loading @@ -34,11 +34,11 @@ Analysis metric is made in the paper. The result is a number which is mapped to the following different lattice structures: 1 = UNKNOWN 2 = BCC 3 = FCC 4 = HCP 5 = ICO :ul 0 = UNKNOWN 1 = BCC 2 = FCC 3 = HCP 4 = ICO :ul The neighbor list needed to compute this quantity is constructed each time the calculation is performed (i.e. each time a snapshot of atoms Loading
doc/pair_eam.html +6 −6 Original line number Diff line number Diff line Loading @@ -65,11 +65,11 @@ of the run time). <P>The cutoff distance and the tabulated values of the functionals F, rho, and phi are listed in one or more files which are specified by the <A HREF = "pair_coeff.html">pair_coeff</A> command. These are ASCII text files in a DYNAMO-style format which is described below. DYNAMO is a serial MD code. Several DYNAMO potential files for different metals are included in the "potentials" directory of the LAMMPS distribution. All of these files are parameterized in terms of LAMMPS <A HREF = "units.html">metal units</A>. in a DYNAMO-style format which is described below. DYNAMO was the original serial EAM MD code, written by the EAM originators. Several DYNAMO potential files for different metals are included in the "potentials" directory of the LAMMPS distribution. All of these files are parameterized in terms of LAMMPS <A HREF = "units.html">metal units</A>. </P> <P>IMPORTANT NOTE: The <I>eam</I> style reads single-element EAM potentials in the DYNAMO <I>funcfl</I> format. Either single element or alloy systems Loading @@ -82,7 +82,7 @@ as described below. These files require no mixing since they specify alloy interactions explicitly. </P> <P>There are several WWW sites that distribute and document EAM potentials stored in either the original DYNAMO or other formats: potentials stored in DYNAMO or other formats: </P> <PRE>http://www.ctcms.nist.gov/potentials http://cst-www.nrl.navy.mil/ccm6/ap Loading
doc/pair_eam.txt +6 −6 Original line number Diff line number Diff line Loading @@ -57,11 +57,11 @@ of the run time). The cutoff distance and the tabulated values of the functionals F, rho, and phi are listed in one or more files which are specified by the "pair_coeff"_pair_coeff.html command. These are ASCII text files in a DYNAMO-style format which is described below. DYNAMO is a serial MD code. Several DYNAMO potential files for different metals are included in the "potentials" directory of the LAMMPS distribution. All of these files are parameterized in terms of LAMMPS "metal units"_units.html. in a DYNAMO-style format which is described below. DYNAMO was the original serial EAM MD code, written by the EAM originators. Several DYNAMO potential files for different metals are included in the "potentials" directory of the LAMMPS distribution. All of these files are parameterized in terms of LAMMPS "metal units"_units.html. IMPORTANT NOTE: The {eam} style reads single-element EAM potentials in the DYNAMO {funcfl} format. Either single element or alloy systems Loading @@ -74,7 +74,7 @@ as described below. These files require no mixing since they specify alloy interactions explicitly. There are several WWW sites that distribute and document EAM potentials stored in either the original DYNAMO or other formats: potentials stored in DYNAMO or other formats: http://www.ctcms.nist.gov/potentials http://cst-www.nrl.navy.mil/ccm6/ap Loading
