atat-mirror/glue/vasp/cleanvasp

18 lines
549 B
Tcsh
Executable File

#!/bin/csh
rm -f CHG CHGCAR WAVECAR POTCAR
rm -f EIGENVAL IBZKPT PCDAT XDATCAR
rm -f INCAR POSCAR KPOINTS
if ( -e TMPBROYD ) rm -f TMPBROYD
if ( "x"$1 == "x-s" ) then
cat OUTCAR | awk 'BEGIN {v=1;} /FEWALD/ {v=0;} /EDIFF/ {v=1;} {if (v==1) print $0;}' | \
awk 'BEGIN {v=1;} /non-local-force/ {v=0;} /TOTAL-FORCE/ {v=1;} {if (v==1) print $0;}'>! OUTCAR.short
rm -f OUTCAR
endif
if ( "x"$1 == "x-v") then
rm -f CONTCAR OSZICAR OUTCAR vasp.out DOSCAR
endif
if ( "x"$1 == "x-f") then
rm -f CONTCAR
mv OSZICAR OSZICAR.done
endif