#!/bin/sh

set -x

#	Main command script for oxygen test calculation

# 1.	Get the nuclear data
        ./oxy_1_iso

# 2.   Generate the 1s(2) core
	./oxy_2_jjgen_1s

# 3.   Angular integration and initial estimates of 1s orbitals
        ./oxy_3_initial_1s

# 4.   Perform SCF calculations
        ./oxy_4_scf_1s

# 5.   Generate the 2s(2) 2p(4) orbitals
	./oxy_5_jjgen_2p

# 6.   Angular integration and initial extimates of 2s,2p orbitals
        ./oxy_6_initial_2p

# 7.   Perform SCF calculations
        ./oxy_7_scf_2p

# 8.   Perform rci calculation for 1s,2s,2p
        ./oxy_8_rci_2p

# 9.   Calculate transition
	./oxy_9_trans_2p

# 10.  Generate 3s,3p,3d orbitals
        ./oxy_10_jjgen_3d

# 11.  Angular integration and initial extimates of 3s,3p,3d orbitals
        ./oxy_11_exc_3d

# 12.  Perform scf calculations
        ./oxy_12_scf_3d

# 13.  Perform rci calculation
        ./oxy_13_rci_3d

# 14.  Perform transition calculation
        ./oxy_14_trans_3d

# 15.  Generate 4s,4p,4d,4f orbitals
        ./oxy_15_jjgen_4f

# 16.  Angular integration and initial extimates of 4s,4p,4d,4f orbitals
        ./oxy_16_exc_4f

# 17.  Perform scf calculation
        ./oxy_17_scf_4f

# 18.  Perform rci calculations
        ./oxy_18_rci_4f

# 19.  Perform transiton calculations
        ./oxy_19_trans_4f
