File: make_ps

package info (click to toggle)
espresso 6.7-4
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 311,068 kB
  • sloc: f90: 447,429; ansic: 52,566; sh: 40,631; xml: 37,561; tcl: 20,077; lisp: 5,923; makefile: 4,503; python: 4,379; perl: 1,219; cpp: 761; fortran: 618; java: 568; awk: 128
file content (21 lines) | stat: -rwxr-xr-x 383 bytes parent folder | download | duplicates (21) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
 
#!/bin/bash

PWDIR='../../../..'
work=./WORK
. $PWDIR/examples/environment_variables
BIN_DIR=$PWDIR/bin

mkdir $work >& /dev/null
rm -f $work/*
mkdir PSEUDOPOTENTIALS >& /dev/null

ld1_command="$PARA_PREFIX $BIN_DIR/ld1.x $PARA_POSTFIX"

echo "ld1_command =" $ld1_command

for atom in *.in ; do
    $ld1_command < $atom > $work/$atom.out
done

mv *.UPF PSEUDOPOTENTIALS
\rm -f ld1*