git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10062 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -1,4 +1,4 @@
|
|||||||
#!/usr/local/bin/python
|
#!/usr/bin/env python
|
||||||
|
|
||||||
# Script: dump2cfg.py
|
# Script: dump2cfg.py
|
||||||
# Purpose: convert a LAMMPS dump file to CFG format
|
# Purpose: convert a LAMMPS dump file to CFG format
|
||||||
|
|||||||
@ -1,4 +1,4 @@
|
|||||||
#!/usr/local/bin/python
|
#!/usr/bin/env python
|
||||||
|
|
||||||
# Script: dump2pdb.py
|
# Script: dump2pdb.py
|
||||||
# Purpose: convert a LAMMPS dump file to PDB format
|
# Purpose: convert a LAMMPS dump file to PDB format
|
||||||
|
|||||||
@ -1,4 +1,4 @@
|
|||||||
#!/usr/local/bin/python
|
#!/usr/bin/env python
|
||||||
|
|
||||||
# Script: dump2xyz.py
|
# Script: dump2xyz.py
|
||||||
# Purpose: convert a LAMMPS dump file to XYZ format
|
# Purpose: convert a LAMMPS dump file to XYZ format
|
||||||
|
|||||||
@ -1,4 +1,4 @@
|
|||||||
#!/usr/local/bin/python
|
#!/usr/bin/env python
|
||||||
|
|
||||||
# Script: dumpsort.py
|
# Script: dumpsort.py
|
||||||
# Purpose: sort the snapshots in a LAMMPS dump file by atom ID
|
# Purpose: sort the snapshots in a LAMMPS dump file by atom ID
|
||||||
|
|||||||
@ -1,4 +1,4 @@
|
|||||||
#!/usr/local/bin/python
|
#!/usr/bin/env python
|
||||||
|
|
||||||
# Script: log2txt.py
|
# Script: log2txt.py
|
||||||
# Purpose: extract thermo info from LAMMPS log file
|
# Purpose: extract thermo info from LAMMPS log file
|
||||||
|
|||||||
@ -1,4 +1,4 @@
|
|||||||
#!/usr/local/bin/python -i
|
#!/usr/bin/env python -i
|
||||||
|
|
||||||
# Script: logplot.py
|
# Script: logplot.py
|
||||||
# Purpose: use GnuPlot to plot two columns from a LAMMPS log file
|
# Purpose: use GnuPlot to plot two columns from a LAMMPS log file
|
||||||
|
|||||||
@ -1,4 +1,4 @@
|
|||||||
#!/usr/local/bin/python
|
#!/usr/bin/env python
|
||||||
|
|
||||||
# make new dump file by combining snapshots from multiple NEB replica dumps
|
# make new dump file by combining snapshots from multiple NEB replica dumps
|
||||||
# Syntax: neb_combine.py -switch arg(s) -switch arg(s) ...
|
# Syntax: neb_combine.py -switch arg(s) -switch arg(s) ...
|
||||||
|
|||||||
@ -1,4 +1,4 @@
|
|||||||
#!/usr/local/bin/python
|
#!/usr/bin/env python
|
||||||
|
|
||||||
# make new dump file from final snapshots from multiple NEB replica dumps
|
# make new dump file from final snapshots from multiple NEB replica dumps
|
||||||
# Syntax: neb_final.py -switch arg(s) -switch arg(s) ...
|
# Syntax: neb_final.py -switch arg(s) -switch arg(s) ...
|
||||||
|
|||||||
Reference in New Issue
Block a user