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expand examples to include some LAMMPS commands

This commit is contained in:
Axel Kohlmeyer 2020-10-18 01:06:34 -04:00
parent e1b00a67f8
commit 42116fc444
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GPG Key ID: D9B44E93BF0C375A
4 changed files with 27 additions and 0 deletions
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7
swig/run_lua_example.sh
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@ -6,7 +6,14 @@ require("lualammps")
lmp = lualammps.lammps_open_no_mpi(0,nil,nil)
ver = lualammps.lammps_version(lmp)
lualammps.lammps_command(lmp, "units real")
lualammps.lammps_command(lmp, "lattice fcc 2.5")
lualammps.lammps_command(lmp, "region box block -5 5 -5 5 -5 5")
lualammps.lammps_command(lmp, "create_box 1 box")
lualammps.lammps_command(lmp, "create_atoms 1 box")
print("LAMMPS version ", ver)
print("Number of created atoms: ", lualammps.lammps_get_natoms(lmp))
lualammps.lammps_close(lmp )
EOF

7
swig/run_perl_example.sh
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@ -6,7 +6,14 @@ use pllammps;
\$lmp = pllammps::lammps_open_no_mpi(0,undef,undef);
\$ver = pllammps::lammps_version(\$lmp);
pllammps::lammps_command(\$lmp, "units real");
pllammps::lammps_command(\$lmp, "lattice fcc 2.5");
pllammps::lammps_command(\$lmp, "region box block -5 5 -5 5 -5 5");
pllammps::lammps_command(\$lmp, "create_box 1 box");
pllammps::lammps_command(\$lmp, "create_atoms 1 box");
print("LAMMPS version ",\$ver,"\n");
print("Number of created atoms: ", pllammps::lammps_get_natoms(\$lmp), "\n");
pllammps::lammps_close(\$lmp)
EOF

6
swig/run_python_example.sh
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@ -5,8 +5,14 @@ from pylammps import *
lmp = lammps_open_no_mpi(0,None,None)
ver = lammps_version(lmp)
lammps_command(lmp, "units real")
lammps_command(lmp, "lattice fcc 2.5")
lammps_command(lmp, "region box block -5 5 -5 5 -5 5")
lammps_command(lmp, "create_box 1 box")
lammps_command(lmp, "create_atoms 1 box")
print("LAMMPS version ",ver)
print("Number of created atoms: %g" % lammps_get_natoms(lmp))
lammps_close(lmp)
EOF

7
swig/run_tcl_example.sh
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@ -6,7 +6,14 @@ load ./tcllammps.so
set lmp [lammps_open_no_mpi 0 NULL NULL ]
set ver [lammps_version \$lmp]
lammps_command \$lmp "units real"
lammps_command \$lmp "lattice fcc 2.5"
lammps_command \$lmp "region box block -5 5 -5 5 -5 5"
lammps_command \$lmp "create_box 1 box"
lammps_command \$lmp "create_atoms 1 box"
puts "LAMMPS version \$ver"
puts [format "Number of created atoms: %g" [lammps_get_natoms \$lmp]]
lammps_close \$lmp
EOF