getdet script
Posted: Tue Dec 27, 2016 5:50 pm
Dear users,
I want to use "getdet" script to convert example MCSCF wave function which is calculated by gamess code. However, I could not run this command.
Happy new year and Thanks in advance.
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[s.nasiri@chemcluster gamess]$ cd MCSCF_demo/
[s.nasiri@chemcluster MCSCF_demo]$ ls
CI HF HFVMC MCSCF MCSCFVMC
[s.nasiri@chemcluster MCSCF_demo]$ cd MCSCF
[s.nasiri@chemcluster MCSCF]$ ls
gamess.data gwfn.data mcscf_again.dat mcscf_again.inp mcscf_again.log mcscf.dat mcscf.inp mcscf.log
[s.nasiri@chemcluster MCSCF]$ pwd
/home/s.nasiri/CASINO/utils/wfn_converters/gamess/MCSCF_demo/MCSCF
[s.nasiri@chemcluster MCSCF]$ ./../../getdet -t gms -r 0.01 mcscf_again.log
-bash: ./../../getdet: /usr/local/shared/bin/perl: bad interpreter: No such file or directory
I want to use "getdet" script to convert example MCSCF wave function which is calculated by gamess code. However, I could not run this command.
Happy new year and Thanks in advance.
=====================================================================================================
[s.nasiri@chemcluster gamess]$ cd MCSCF_demo/
[s.nasiri@chemcluster MCSCF_demo]$ ls
CI HF HFVMC MCSCF MCSCFVMC
[s.nasiri@chemcluster MCSCF_demo]$ cd MCSCF
[s.nasiri@chemcluster MCSCF]$ ls
gamess.data gwfn.data mcscf_again.dat mcscf_again.inp mcscf_again.log mcscf.dat mcscf.inp mcscf.log
[s.nasiri@chemcluster MCSCF]$ pwd
/home/s.nasiri/CASINO/utils/wfn_converters/gamess/MCSCF_demo/MCSCF
[s.nasiri@chemcluster MCSCF]$ ./../../getdet -t gms -r 0.01 mcscf_again.log
-bash: ./../../getdet: /usr/local/shared/bin/perl: bad interpreter: No such file or directory