Ec/cyclopentadiene/cc-pvdz/slurm-498044.out

+ INPUT=cyclopentadiene
+ source /users/p18005/veril/tmpdir/qp2/quantum_package.rc
++ QP_ROOT=/NOT/FOUND
++ case "$(ps -p $$ -ocomm=)" in
+++ ps -p 73501 -ocomm=
+++ dirname '/users/p18005/veril/tmpdir/qp2/quantum_package.rc[0]'
++ QP_ROOT=/users/p18005/veril/tmpdir/qp2
+++ cd /users/p18005/veril/tmpdir/qp2
+++ pwd -P
++ export QP_ROOT=/tmpdir/veril/qp2
++ QP_ROOT=/tmpdir/veril/qp2
++ WD=/users/p18005/veril/tmpdir/Ec/cyclopentadiene/cc-pvdz
++ cd /tmpdir/veril/qp2/etc
++ for SCRIPT in '*.rc'
++ source 00.qp_root.rc
+++ export QP_ROOT=/tmpdir/veril/qp2
+++ QP_ROOT=/tmpdir/veril/qp2
++ for SCRIPT in '*.rc'
++ source autocomplete.rc
++++ ps -p 73501 -ocomm=
+++ [[ slurm_script == \z\s\h ]]
++ for SCRIPT in '*.rc'
++ source configure.rc
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 73501 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ complete -F _configure_Complete configure
++ for SCRIPT in '*.rc'
++ source ezfio.rc
+++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
+++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 73501 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
++ for SCRIPT in '*.rc'
++ source irpf90.rc
+++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
+++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
+++ export PATH=/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ PATH=/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
+++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
+++ source /tmpdir/veril/qp2/etc/autocomplete.rc
+++++ ps -p 73501 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash
++ for SCRIPT in '*.rc'
++ source libraries.rc
+++ QP_LIB=
++ for SCRIPT in '*.rc'
++ source local.rc
++ for SCRIPT in '*.rc'
++ source ninja.rc
+++ export NINJA=/tmpdir/veril/qp2/bin/ninja
+++ NINJA=/tmpdir/veril/qp2/bin/ninja
++ for SCRIPT in '*.rc'
++ source ocaml.rc
+++ [[ -z '' ]]
+++ export OPAMROOT=/tmpdir/veril/qp2/external/opam
+++ OPAMROOT=/tmpdir/veril/qp2/external/opam
+++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh
++ for SCRIPT in '*.rc'
++ source paths.rc
+++ QP_PYTHON=
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ezfio.rc
++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 73501 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source irpf90.rc
++++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
++++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6
++++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
++++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 73501 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ninja.rc
++++ export NINJA=/tmpdir/veril/qp2/bin/ninja
++++ NINJA=/tmpdir/veril/qp2/bin/ninja
+++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc
+++ source ocaml.rc
++++ [[ -z /tmpdir/veril/qp2/external/opam ]]
++++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python
+++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
+++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
++++ qp_prepend_export PYTHONPATH /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile
++++ eval 'value_1=${PYTHONPATH}'
+++++ value_1=
++++ [[ -z '' ]]
++++ echo /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
+++ export PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
+++ PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:
++++ qp_prepend_export PATH :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml
++++ eval 'value_1=${PATH}'
+++++ value_1=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ [[ -z /tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ]]
++++ echo :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ export PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
+++ PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin
++++ qp_prepend_export LD_LIBRARY_PATH /tmpdir/veril/qp2/lib
++++ eval 'value_1=${LD_LIBRARY_PATH}'
+++++ value_1=/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib
++++ [[ -z /usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib ]]
++++ echo /tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib
+++ export LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib
+++ LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib
++++ qp_prepend_export LIBRARY_PATH /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64
++++ eval 'value_1=${LIBRARY_PATH}'
+++++ value_1=/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
++++ [[ -z /usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 ]]
++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
+++ export LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
+++ LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64
++++ qp_prepend_export C_INCLUDE_PATH /tmpdir/veril/qp2/include
++++ eval 'value_1=${C_INCLUDE_PATH}'
+++++ value_1=
++++ [[ -z '' ]]
++++ echo /tmpdir/veril/qp2/include:
+++ export C_INCLUDE_PATH=/tmpdir/veril/qp2/include:
+++ C_INCLUDE_PATH=/tmpdir/veril/qp2/include:
++ for SCRIPT in '*.rc'
++ source qp.rc
++++ ps -p 73501 -ocomm=
+++ [[ slurm_script == \z\s\h ]]
+++ source /tmpdir/veril/qp2/etc/ezfio.rc
++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 73501 -ocomm=
+++++ [[ slurm_script == \z\s\h ]]
++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh
+++ complete -F _qp_Complete qp
++ cd /users/p18005/veril/tmpdir/Ec/cyclopentadiene/cc-pvdz
++ [[ -z /tmpdir/veril/qp2 ]]
+ set -e
+ ./localize.sh cyclopentadiene.ang /tmpdir/veril/qp2/data/basis/cc-pvdz cyclopentadiene

Orbital localization

Method : Boys_er
Separation type : Sigma/pi
Max number of iterations : 1000000
cc : 1e-05
epsilon : 1.
charge : 0
Rotation pre angle : 0.001

Criterion max_angle norm_angle average_angle

Orbital lists:
Core: [1,2,3,4,5,]
Occupied: [6,7,8,9,10,11,12,13,14,15,16,17,18,]
Virtual: [19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,]
Sigma occ: [6,7,8,9,10,11,12,13,14,15,16,17,]
Pi occ: [18,]
Sigma vir: [19,21,22,23,24,25,26,27,28,29,30,31,32,33,35,36,37,38,39,41,42,43,44,45,46,49,50,51,52,54,55,56,57,58,59,60,61,62,63,64,65,67,68,70,71,72,73,75,76,77,79,80,81,82,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,]
Pi vir: [20,34,40,47,48,53,66,69,74,78,83,]

0 17.903520 0.784582 1.283587 0.002445
1 22.368693 0.784444 0.867418 0.001652
2 24.157656 -0.423460 0.632256 0.001204
3 25.934374 0.421589 0.208993 0.000398
4 26.162405 -0.078269 0.177064 0.000337
5 26.388259 -0.077895 0.138306 0.000263
6 26.462617 -0.068141 0.099331 0.000189
7 26.536707 -0.068093 0.024358 0.000046
8 26.543196 0.012969 0.016029 0.000031
9 26.547896 0.011036 0.003650 0.000007
10 26.548059 -0.002033 0.002248 0.000004
11 26.548072 0.000999 0.001749 0.000003
12 26.548080 0.000792 0.001344 0.000003
13 26.548099 0.000707 0.000897 0.000002
14 26.548113 0.000603 0.000279 0.000001
15 26.548113 -0.000173 0.000135 0.000000
16 26.548114 0.000096 0.000001 0.000000
17 26.548114 0.000001 0.000000 0.000000
0 18.675994 0.785248 4.921024 0.003906
1 25.844544 0.784809 4.083176 0.003241
2 27.359594 -0.783923 3.935172 0.003123
3 27.789202 -0.782949 3.762233 0.002986
4 30.488648 -0.780344 3.620844 0.002874
5 33.183865 -0.777475 3.455204 0.002742
6 34.523114 -0.760483 3.341151 0.002652
7 35.675928 -0.762584 3.131046 0.002485
8 38.370005 0.745473 3.071131 0.002437
9 39.860668 -0.736679 3.039453 0.002412
10 39.920645 -0.783662 2.952705 0.002343
11 40.222061 0.611459 2.814488 0.002234
12 40.876189 0.594706 2.854403 0.002265
13 43.597076 -0.548684 2.843835 0.002257
14 44.095104 0.598204 2.631826 0.002089
15 46.964009 -0.511921 2.584511 0.002051
16 48.425534 0.688257 2.802186 0.002224
17 48.849492 0.782989 2.567978 0.002038
18 54.655754 0.563842 2.457244 0.001950
19 56.176163 0.524695 2.372358 0.001883
20 57.832766 -0.518235 2.256842 0.001791
21 58.297464 0.492758 2.158383 0.001713
22 59.708456 0.456483 2.077644 0.001649
23 61.326940 -0.454726 1.950448 0.001548
24 62.761561 -0.493298 1.926208 0.001529
25 63.823743 -0.437423 1.829198 0.001452
26 64.991012 -0.425926 1.744661 0.001385
27 66.386840 0.405331 1.684017 0.001337
28 67.798460 -0.413592 1.572472 0.001248
29 68.746890 0.363730 1.517167 0.001204
30 69.601866 -0.346884 1.466707 0.001164
31 70.033119 -0.269268 1.458285 0.001157
32 70.698321 -0.315410 1.373123 0.001090
33 71.055097 -0.313247 1.266331 0.001005
34 73.898207 -0.239136 1.192321 0.000946
35 75.836290 -0.234949 1.135984 0.000902
36 79.201933 0.231221 1.078266 0.000856
37 79.543923 0.196933 1.454668 0.001154
38 79.546139 -0.719798 1.032102 0.000819
39 81.329360 -0.235430 1.003596 0.000797
40 82.881521 0.197028 0.971651 0.000771
41 83.420024 -0.223066 0.904236 0.000718
42 83.932678 0.165572 0.945120 0.000750
43 83.959149 -0.264551 0.863373 0.000685
44 85.720885 -0.153393 0.839855 0.000667
45 86.059123 0.172135 0.810616 0.000643
46 86.779650 0.151529 0.778119 0.000618
47 86.960187 -0.144648 0.751438 0.000596
48 87.257083 -0.143027 0.737972 0.000586
49 88.146944 0.136974 0.705396 0.000560
50 88.774464 -0.136015 0.675278 0.000536
51 89.153815 0.126454 0.659466 0.000523
52 89.381639 -0.120780 0.648622 0.000515
53 89.526125 0.114065 0.629520 0.000500
54 89.977987 -0.112981 0.623828 0.000495
55 89.986581 0.115912 0.604114 0.000479
56 90.473514 0.106900 0.581956 0.000462
57 90.853994 0.103432 0.568168 0.000451
58 91.266188 0.102576 0.553392 0.000439
59 91.361733 0.096315 0.535401 0.000425
60 91.689607 -0.093925 0.523218 0.000415
61 92.216241 -0.092256 0.502810 0.000399
62 92.507497 -0.090337 0.487208 0.000387
63 93.113156 0.084661 0.471758 0.000374
64 93.355089 -0.081987 0.457930 0.000363
65 93.412617 -0.081909 0.456780 0.000363
66 93.418348 0.095532 0.433777 0.000344
67 93.484028 -0.080630 0.416942 0.000331
68 93.552549 0.080018 0.400696 0.000318
69 93.609143 -0.076513 0.385684 0.000306
70 93.932499 0.073150 0.374676 0.000297
71 94.441367 -0.073163 0.360048 0.000286
72 94.477585 0.071846 0.348664 0.000277
73 94.622427 0.065407 0.332969 0.000264
74 94.737875 -0.064729 0.322823 0.000256
75 94.783666 -0.064657 0.308561 0.000245
76 94.924083 0.063113 0.293994 0.000233
77 94.954320 0.057132 0.281952 0.000224
78 95.222476 -0.056085 0.272450 0.000216
79 95.354500 -0.056829 0.259709 0.000206
80 95.467153 0.055883 0.247508 0.000196
81 95.503809 -0.055534 0.234460 0.000186
82 95.585469 -0.054831 0.221296 0.000176
83 95.610527 -0.052867 0.296556 0.000235
84 95.618611 -0.149166 0.209848 0.000167
85 95.788141 -0.052189 0.197318 0.000157
86 95.825336 0.049426 0.186567 0.000148
87 95.851887 -0.047534 0.174199 0.000138
88 95.912338 0.041348 0.163876 0.000130
89 95.966393 -0.035754 0.156900 0.000125
90 96.011196 0.035512 0.148885 0.000118
91 96.025834 0.033733 0.139883 0.000111
92 96.074141 0.032218 0.133733 0.000106
93 96.116227 0.031238 0.126223 0.000100
94 96.149018 0.029220 0.119140 0.000095
95 96.157028 -0.028240 0.110580 0.000088
96 96.165301 0.025271 0.101684 0.000081
97 96.177595 0.023083 0.100731 0.000080
98 96.182488 -0.022367 0.094977 0.000075
99 96.182679 0.021368 0.089363 0.000071
100 96.186978 0.020162 0.084531 0.000067
101 96.200496 -0.018443 0.082623 0.000066
102 96.208718 -0.017231 0.078832 0.000063
103 96.210863 0.017102 0.080332 0.000064
104 96.211068 0.024104 0.073490 0.000058
105 96.213690 -0.017335 0.095327 0.000076
106 96.214483 -0.046056 0.069801 0.000055
107 96.216584 -0.014591 0.066873 0.000053
108 96.220242 -0.013897 0.064248 0.000051
109 96.223236 -0.012581 0.061364 0.000049
110 96.237691 0.011992 0.058962 0.000047
111 96.239119 -0.011636 0.056822 0.000045
112 96.244341 0.011404 0.054393 0.000043
113 96.245750 -0.011395 0.052376 0.000042
114 96.250011 -0.010858 0.049650 0.000039
115 96.257548 0.010813 0.047125 0.000037
116 96.266850 -0.010377 0.044985 0.000036
117 96.267969 0.010346 0.042428 0.000034
118 96.271925 0.010168 0.039621 0.000031
119 96.275068 -0.008501 0.037546 0.000030
120 96.277611 0.008133 0.035500 0.000028
121 96.280077 0.008024 0.033626 0.000027
122 96.280956 -0.007632 0.032074 0.000025
123 96.281550 0.007542 0.030409 0.000024
124 96.282106 0.007516 0.028617 0.000023
125 96.284523 0.006965 0.027383 0.000022
126 96.284872 -0.006351 0.038158 0.000030
127 96.285036 -0.020364 0.025929 0.000021
128 96.286648 -0.006156 0.024269 0.000019
129 96.288051 -0.006001 0.023811 0.000019
130 96.291019 -0.005857 0.022347 0.000018
131 96.291323 -0.005291 0.021078 0.000017
132 96.291333 0.004840 0.020358 0.000016
133 96.291560 0.005140 0.025326 0.000020
134 96.291616 0.011809 0.019809 0.000016
135 96.292233 -0.004665 0.018779 0.000015
136 96.292708 0.004634 0.017970 0.000014
137 96.293654 -0.004614 0.016805 0.000013
138 96.293803 -0.004390 0.015313 0.000012
139 96.293969 -0.004393 0.021782 0.000017
140 96.294024 -0.011844 0.014577 0.000012
141 96.294564 -0.003454 0.013809 0.000011
142 96.294670 -0.003233 0.013003 0.000010
143 96.295032 0.003146 0.012233 0.000010
144 96.295375 0.003018 0.011433 0.000009
145 96.295441 0.002767 0.015113 0.000012
146 96.295463 -0.007554 0.011275 0.000009
147 96.295597 0.002468 0.011018 0.000009
148 96.295654 0.002463 0.010482 0.000008
149 96.296181 0.002330 0.009967 0.000008
150 96.296222 0.002218 0.013154 0.000010
151 96.296240 -0.006541 0.009941 0.000008
152 96.296279 0.002251 0.010310 0.000008
153 96.296283 -0.002835 0.009778 0.000008
154 96.296353 0.002274 0.009163 0.000007
155 96.296498 -0.002021 0.008722 0.000007
156 96.296531 0.001988 0.011191 0.000009
157 96.296542 -0.005275 0.008807 0.000007
158 96.296583 0.002268 0.009244 0.000007
159 96.296586 -0.002989 0.008504 0.000007
160 96.296629 -0.002241 0.010664 0.000008
161 96.296638 -0.004952 0.008422 0.000007
162 96.296664 0.001752 0.009756 0.000008
163 96.296670 -0.003807 0.008410 0.000007
164 96.296801 0.001716 0.008042 0.000006
165 96.296823 -0.001669 0.008419 0.000007
166 96.296825 0.002302 0.007944 0.000006
167 96.296851 -0.001573 0.007628 0.000006
168 96.296954 -0.001557 0.007310 0.000006
169 96.297096 -0.001508 0.007001 0.000006
170 96.297173 -0.001449 0.006739 0.000005
171 96.297301 0.001431 0.006451 0.000005
172 96.297318 0.001429 0.007597 0.000006
173 96.297322 -0.003096 0.006470 0.000005
174 96.297394 0.001394 0.006260 0.000005
175 96.297409 0.001381 0.007039 0.000006
176 96.297412 -0.002673 0.006183 0.000005
177 96.297432 0.001562 0.007530 0.000006
178 96.297437 -0.003376 0.006091 0.000005
179 96.297457 0.001374 0.005815 0.000005
180 96.297478 -0.001318 0.005525 0.000004
181 96.297507 -0.001173 0.005436 0.000004
182 96.297533 -0.001143 0.005454 0.000004
183 96.297534 -0.001261 0.005304 0.000004
184 96.297547 -0.001271 0.006380 0.000005
185 96.297550 0.002708 0.005374 0.000004
186 96.297566 -0.001420 0.005855 0.000005
187 96.297568 -0.002095 0.005260 0.000004
188 96.297580 0.001209 0.005641 0.000004
189 96.297581 0.001817 0.005200 0.000004
190 96.297596 0.001357 0.006381 0.000005
191 96.297600 -0.002901 0.005127 0.000004
192 96.297611 0.001191 0.006070 0.000005
193 96.297614 0.002514 0.005112 0.000004
194 96.297645 -0.001055 0.004904 0.000004
195 96.297717 -0.001053 0.004683 0.000004
196 96.297726 0.000970 0.004480 0.000004
197 96.297746 -0.000967 0.004382 0.000003
198 96.297781 -0.000957 0.004478 0.000004
199 96.297781 -0.001301 0.004236 0.000003
200 96.297789 -0.000955 0.004570 0.000004
201 96.297790 0.001466 0.004237 0.000003
202 96.297798 0.000988 0.005008 0.000004
203 96.297799 0.002062 0.004275 0.000003
204 96.297811 0.001230 0.004767 0.000004
205 96.297813 0.001920 0.004104 0.000003
206 96.297823 -0.001084 0.005035 0.000004
207 96.297825 0.002252 0.004092 0.000003
208 96.297893 -0.000889 0.003892 0.000003
209 96.297901 0.000873 0.003675 0.000003
210 96.297915 -0.000845 0.003589 0.000003
211 96.297984 -0.000842 0.003384 0.000003
212 96.297990 0.000810 0.004318 0.000003
213 96.297991 0.002082 0.003379 0.000003
214 96.297999 -0.000968 0.003848 0.000003
215 96.298000 -0.001543 0.003333 0.000003
216 96.298005 -0.000785 0.003915 0.000003
217 96.298006 -0.001613 0.003338 0.000003
218 96.298012 0.000864 0.003711 0.000003
219 96.298013 0.001394 0.003275 0.000003
220 96.298018 0.000790 0.003848 0.000003
221 96.298019 0.001616 0.003233 0.000003
222 96.298026 0.000694 0.003091 0.000002
223 96.298029 0.000673 0.003222 0.000003
224 96.298030 -0.000891 0.003049 0.000002
225 96.298033 -0.000655 0.003488 0.000003
226 96.298034 -0.001334 0.003043 0.000002
227 96.298043 -0.000663 0.002975 0.000002
228 96.298058 0.000635 0.002972 0.000002
229 96.298059 -0.000766 0.002851 0.000002
230 96.298075 0.000577 0.002756 0.000002
231 96.298077 -0.000576 0.003103 0.000002
232 96.298078 -0.001146 0.002769 0.000002
233 96.298081 -0.000649 0.003224 0.000003
234 96.298082 0.001314 0.002762 0.000002
235 96.298088 -0.000569 0.002731 0.000002
236 96.298093 -0.000572 0.002650 0.000002
237 96.298096 -0.000556 0.003165 0.000003
238 96.298096 -0.001386 0.002627 0.000002
239 96.298101 -0.000734 0.003215 0.000003
240 96.298102 -0.001479 0.002580 0.000002
241 96.298104 0.000545 0.002806 0.000002
242 96.298104 0.000914 0.002577 0.000002
243 96.298107 -0.000591 0.002975 0.000002
244 96.298108 -0.001185 0.002559 0.000002
245 96.298115 -0.000577 0.002472 0.000002
246 96.298117 -0.000514 0.002901 0.000002
247 96.298118 0.001210 0.002454 0.000002
248 96.298120 -0.000541 0.002806 0.000002
249 96.298120 -0.001078 0.002449 0.000002
250 96.298123 -0.000511 0.002347 0.000002
251 96.298144 0.000492 0.002244 0.000002
252 96.298153 -0.000467 0.002144 0.000002
253 96.298162 -0.000466 0.002029 0.000002
254 96.298163 0.000453 0.002249 0.000002
255 96.298164 0.000788 0.002036 0.000002
256 96.298166 0.000548 0.002439 0.000002
257 96.298167 -0.001088 0.001994 0.000002
258 96.298170 -0.000435 0.001956 0.000002
259 96.298172 -0.000469 0.002343 0.000002
260 96.298173 0.001031 0.001936 0.000002
261 96.298174 0.000460 0.002253 0.000002
262 96.298175 -0.000912 0.001933 0.000002
263 96.298176 0.000398 0.002107 0.000002
264 96.298176 0.000685 0.001933 0.000002
265 96.298178 0.000421 0.002188 0.000002
266 96.298178 0.000831 0.001914 0.000002
267 96.298179 -0.000361 0.002058 0.000002
268 96.298179 0.000624 0.001910 0.000002
269 96.298185 0.000355 0.001837 0.000001
270 96.298186 -0.000351 0.002035 0.000002
271 96.298186 -0.000691 0.001839 0.000001
272 96.298189 -0.000363 0.001801 0.000001
273 96.298193 0.000346 0.001812 0.000001
274 96.298193 0.000425 0.001751 0.000001
275 96.298194 0.000353 0.001905 0.000002
276 96.298194 0.000615 0.001752 0.000001
277 96.298195 0.000346 0.001943 0.000002
278 96.298195 0.000679 0.001747 0.000001
279 96.298198 -0.000335 0.001719 0.000001
280 96.298202 0.000332 0.001659 0.000001
281 96.298210 -0.000318 0.001601 0.000001
282 96.298215 -0.000310 0.001578 0.000001
283 96.298219 0.000307 0.001518 0.000001
284 96.298220 -0.000296 0.001820 0.000001
285 96.298220 -0.000803 0.001505 0.000001
286 96.298221 -0.000394 0.001786 0.000001
287 96.298222 0.000771 0.001489 0.000001
288 96.298222 0.000329 0.001643 0.000001
289 96.298223 -0.000577 0.001481 0.000001
290 96.298223 0.000322 0.001673 0.000001
291 96.298224 0.000628 0.001473 0.000001
292 96.298227 -0.000302 0.001443 0.000001
293 96.298228 -0.000301 0.001385 0.000001
294 96.298229 -0.000297 0.001664 0.000001
295 96.298229 0.000731 0.001372 0.000001
296 96.298230 -0.000297 0.001552 0.000001
297 96.298230 -0.000578 0.001372 0.000001
298 96.298233 0.000283 0.001309 0.000001
299 96.298234 -0.000273 0.001260 0.000001
300 96.298236 0.000270 0.001205 0.000001
301 96.298238 -0.000267 0.001155 0.000001
302 96.298238 0.000266 0.001333 0.000001
303 96.298239 -0.000532 0.001161 0.000001
304 96.298239 -0.000302 0.001365 0.000001
305 96.298239 -0.000585 0.001147 0.000001
306 96.298240 -0.000255 0.001275 0.000001
307 96.298240 -0.000451 0.001151 0.000001
308 96.298241 -0.000262 0.001310 0.000001
309 96.298241 0.000506 0.001146 0.000001
310 96.298242 -0.000239 0.001120 0.000001
311 96.298243 0.000237 0.001082 0.000001
312 96.298245 -0.000227 0.001121 0.000001
313 96.298245 -0.000364 0.001041 0.000001
314 96.298245 0.000253 0.001176 0.000001
315 96.298245 0.000451 0.001040 0.000001
316 96.298246 -0.000238 0.001187 0.000001
317 96.298246 0.000458 0.001043 0.000001
318 96.298246 -0.000258 0.001183 0.000001
319 96.298246 0.000459 0.001035 0.000001
320 96.298247 -0.000255 0.001199 0.000001
321 96.298247 0.000491 0.001023 0.000001
322 96.298247 0.000200 0.001112 0.000001
323 96.298247 0.000358 0.001022 0.000001
324 96.298248 0.000199 0.001127 0.000001
325 96.298248 -0.000381 0.001022 0.000001
326 96.298249 -0.000189 0.001011 0.000001
327 96.298250 -0.000189 0.000976 0.000001
328 96.298251 -0.000186 0.000942 0.000001
329 96.298252 -0.000185 0.001101 0.000001
330 96.298252 -0.000453 0.000937 0.000001
331 96.298252 -0.000204 0.001052 0.000001
332 96.298252 -0.000390 0.000930 0.000001
333 96.298253 -0.000190 0.000916 0.000001
334 96.298253 0.000185 0.001065 0.000001
335 96.298253 -0.000436 0.000909 0.000001
336 96.298254 0.000181 0.001007 0.000001
337 96.298254 0.000346 0.000911 0.000001
338 96.298254 -0.000183 0.000873 0.000001
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1810 706.583858 -0.087444 2.727956 0.000366
1811 706.852841 0.085189 2.725915 0.000366
1812 706.900631 0.085160 2.723890 0.000365
1813 707.019484 0.085079 2.718333 0.000365
1814 707.140039 -0.085021 2.719395 0.000365
1815 707.142015 0.088687 2.716682 0.000364
1816 707.756925 -0.085407 2.713748 0.000364
1817 708.388641 0.084284 2.710364 0.000364
1818 708.439738 0.084246 2.706235 0.000363
1819 708.470768 -0.084071 2.704432 0.000363
1820 708.545983 0.088107 2.701716 0.000362
1821 708.902389 -0.084061 2.698250 0.000362
1822 709.152975 0.083936 2.697104 0.000362
1823 709.351588 -0.083759 2.694655 0.000361
1824 709.755698 -0.083521 2.691808 0.000361
1825 709.764716 -0.088378 2.690553 0.000361
1826 710.071598 0.086263 2.686810 0.000360
1827 710.089173 0.082454 2.682781 0.000360
1828 710.513312 -0.083335 2.681613 0.000360
1829 710.744461 -0.085699 2.678904 0.000359
1830 710.804123 -0.083144 2.678017 0.000359
1831 711.547126 -0.084160 2.674502 0.000359
1832 712.153106 -0.082430 2.670432 0.000358
1833 712.357514 -0.082370 2.669992 0.000358
1834 712.724566 -0.082357 2.668200 0.000358
1835 712.781551 -0.082267 2.665055 0.000357
1836 712.865914 0.084888 2.663936 0.000357
1837 712.949968 0.084463 2.659871 0.000357
1838 713.078007 0.083390 2.656171 0.000356
1839 713.154926 -0.083581 2.652299 0.000356
1840 713.204492 -0.081880 2.649340 0.000355
1841 713.208756 0.081841 2.647972 0.000355
1842 713.289650 0.081816 2.647479 0.000355
1843 713.331289 0.084859 2.644817 0.000355
1844 713.461805 0.081577 2.643476 0.000355
1845 713.507414 0.091079 2.641232 0.000354
1846 713.561555 0.081467 2.639109 0.000354
1847 713.579953 0.085209 2.636621 0.000354
1848 713.624416 -0.081501 2.633757 0.000353
1849 713.770456 0.081305 2.633509 0.000353
1850 713.869731 -0.095675 2.632051 0.000353
1851 713.908598 0.113843 2.629045 0.000353
1852 714.062223 -0.083042 2.626171 0.000352
1853 714.123125 0.081276 2.623861 0.000352
1854 714.200184 -0.080727 2.621199 0.000352
1855 714.549638 0.083785 2.619093 0.000351
1856 714.664269 -0.081361 2.617254 0.000351
1857 715.118701 -0.081063 2.613866 0.000351
1858 715.509524 -0.080698 2.615903 0.000351
1859 715.516512 -0.103993 2.612024 0.000350
1860 715.522237 -0.085317 2.610369 0.000350
1861 715.542038 0.083175 2.607008 0.000350
1862 715.649072 -0.082000 2.605699 0.000350
1863 715.769082 -0.080469 2.603339 0.000349
1864 716.311788 -0.080451 2.601151 0.000349
1865 716.529331 -0.080334 2.599549 0.000349
1866 717.080424 0.080179 2.597414 0.000348
1867 717.152480 -0.080076 2.594996 0.000348
1868 717.439653 -0.079900 2.589822 0.000347
1869 717.679369 -0.079800 2.587657 0.000347
1870 717.950511 -0.083115 2.589013 0.000347
1871 717.953749 0.082236 2.587580 0.000347
1872 717.962119 -0.084098 2.588009 0.000347
1873 717.963465 -0.085270 2.585343 0.000347
1874 718.239612 -0.080767 2.584899 0.000347
1875 718.461094 0.080377 2.587340 0.000347
1876 718.464736 0.091650 2.583959 0.000347
1877 718.595083 -0.080350 2.583864 0.000347
1878 718.954382 0.080230 2.586456 0.000347
1879 718.958142 0.139537 2.580505 0.000346
1880 719.005935 -0.084308 2.577708 0.000346
1881 719.198050 -0.082143 2.579199 0.000346
1882 719.199556 -0.093277 2.574975 0.000345
1883 719.381541 0.080013 2.575368 0.000345
1884 719.671055 0.079397 2.573865 0.000345
1885 719.707202 -0.079237 2.572546 0.000345
1886 719.775222 -0.085270 2.571629 0.000345
1887 719.998588 -0.084079 2.570808 0.000345
1888 720.049293 -0.082807 2.568439 0.000345
1889 720.061371 0.082710 2.565118 0.000344
1890 720.767655 -0.081749 2.567998 0.000344
1891 720.781274 0.095481 2.563147 0.000344
1892 721.166030 0.080106 2.562597 0.000344
1893 721.596024 0.079531 2.558075 0.000343
1894 721.834446 -0.081255 2.555328 0.000343
1895 721.955421 -0.079230 2.554206 0.000343
1896 722.456630 0.078975 2.551454 0.000342
1897 722.750727 -0.078723 2.551601 0.000342
1898 722.928650 -0.078598 2.548849 0.000342
1899 722.948232 -0.078499 2.549342 0.000342
1900 722.988287 -0.081549 2.547942 0.000342
1901 722.995861 0.081387 2.547950 0.000342
1902 723.001472 0.101185 2.544381 0.000341
1903 723.015326 -0.080415 2.542077 0.000341
1904 723.114297 0.080305 2.539023 0.000341
1905 723.137995 -0.079397 2.535825 0.000340
1906 723.151050 0.079912 2.533712 0.000340
1907 723.192297 0.079375 2.531709 0.000340
1908 723.207196 0.079360 2.530939 0.000339
1909 723.805081 0.079626 2.528957 0.000339
1910 723.851219 0.078989 2.529228 0.000339
1911 723.852063 -0.093831 2.524318 0.000339
1912 723.870403 0.080803 2.521366 0.000338
1913 724.277447 0.081255 2.520959 0.000338
1914 724.743403 0.078326 2.520470 0.000338
1915 724.744940 0.084037 2.518092 0.000338
1916 725.104027 -0.080063 2.516390 0.000338
1917 725.228277 0.078569 2.516404 0.000338
1918 725.300862 0.078517 2.512696 0.000337
1919 725.499282 0.078290 2.520548 0.000338
1920 725.500431 -0.160283 2.510888 0.000337
1921 725.716553 0.078216 2.508063 0.000336
1922 725.811017 -0.081031 2.506686 0.000336
1923 725.823192 0.079574 2.504579 0.000336
1924 726.275967 0.078205 2.502293 0.000336
1925 726.416955 -0.078197 2.501343 0.000336
1926 726.521677 -0.077896 2.500827 0.000335
1927 726.683895 -0.077637 2.502641 0.000336
1928 726.690450 -0.096126 2.499097 0.000335
1929 726.698252 -0.096793 2.496567 0.000335
1930 726.877075 0.080745 2.493177 0.000334
1931 727.289404 -0.079835 2.491845 0.000334
1932 727.708324 -0.079199 2.489710 0.000334
1933 728.445481 0.078868 2.489554 0.000334
1934 728.447288 -0.097397 2.485525 0.000333
1935 728.992061 -0.078296 2.482946 0.000333
1936 729.032287 0.077506 2.479347 0.000333
1937 729.124003 -0.080004 2.477260 0.000332
1938 729.443152 0.077495 2.474712 0.000332
1939 729.473262 0.082924 2.469519 0.000331
1940 729.495386 0.077168 2.466906 0.000331
1941 729.693627 -0.079759 2.466731 0.000331
1942 729.875341 -0.076937 2.463456 0.000330
1943 730.138201 0.076732 2.461062 0.000330
1944 730.199338 -0.076671 2.458843 0.000330
1945 730.260903 0.076528 2.457014 0.000330
1946 730.576878 -0.079450 2.455472 0.000329
1947 730.732469 0.078744 2.454295 0.000329
1948 730.832198 -0.076526 2.452741 0.000329
1949 730.846836 0.080278 2.449792 0.000329
1950 731.023703 0.079964 2.446915 0.000328
1951 731.664536 0.081342 2.444833 0.000328
1952 732.500575 0.079615 2.441502 0.000327
1953 732.674486 0.077721 2.437433 0.000327
1954 732.819603 -0.076240 2.436842 0.000327
1955 732.825038 0.076187 2.435573 0.000327
1956 732.942671 0.075823 2.433487 0.000326
1957 732.953596 -0.082579 2.433492 0.000326
1958 732.966826 -0.089631 2.431682 0.000326
1959 732.967592 -0.103843 2.427426 0.000326
1960 733.169419 -0.077201 2.423916 0.000325
1961 733.286303 -0.076273 2.423915 0.000325
1962 733.390580 -0.075735 2.423296 0.000325
1963 733.438403 0.075643 2.419473 0.000325
1964 734.118376 -0.075797 2.416458 0.000324
1965 734.297548 0.075613 2.416767 0.000324
1966 734.302882 0.081431 2.413730 0.000324
1967 734.318003 -0.081079 2.411266 0.000323
1968 734.605988 -0.077599 2.416568 0.000324
1969 734.606765 -0.137382 2.408977 0.000323
1970 734.615309 0.075247 2.407579 0.000323
1971 734.902513 -0.075243 2.405325 0.000323
1972 735.274979 -0.075151 2.407854 0.000323
1973 735.282744 -0.084894 2.405421 0.000323
1974 735.289697 0.088282 2.402528 0.000322
1975 735.419840 -0.077243 2.400422 0.000322
1976 735.482482 0.078157 2.400789 0.000322
1977 735.555828 -0.076518 2.398878 0.000322
1978 735.609232 -0.075610 2.396672 0.000321
1979 735.822252 -0.076295 2.394400 0.000321
1980 735.954181 0.075040 2.394416 0.000321
1981 736.000562 0.077415 2.393684 0.000321
1982 736.048474 -0.076971 2.392238 0.000321
1983 736.224850 -0.075486 2.388219 0.000320
1984 736.444031 0.074941 2.395706 0.000321
1985 736.448126 -0.156409 2.385664 0.000320
1986 736.918076 -0.075927 2.386274 0.000320
1987 736.927410 -0.085378 2.385411 0.000320
1988 736.941117 0.088575 2.383391 0.000320
1989 736.952755 0.076655 2.380760 0.000319
1990 736.953698 -0.075579 2.378288 0.000319
1991 737.178748 0.075354 2.375624 0.000319
1992 737.615447 0.076726 2.374266 0.000318
1993 737.900127 0.074796 2.370926 0.000318
1994 738.012130 -0.074760 2.370049 0.000318
1995 738.179605 0.075422 2.366806 0.000317
1996 738.648533 0.074690 2.365101 0.000317
1997 738.713576 0.075168 2.362785 0.000317
1998 738.767662 0.077989 2.361557 0.000317
1999 739.100063 0.075118 2.358725 0.000316
2000 739.119345 -0.079565 2.355818 0.000316
2001 739.900875 -0.074943 2.352197 0.000316
2002 739.999873 0.074447 2.351307 0.000315
2003 740.004786 -0.075095 2.347710 0.000315
2004 740.191814 -0.075677 2.346098 0.000315
2005 740.206333 0.074357 2.344123 0.000314
2006 740.635080 0.074107 2.341209 0.000314
2007 740.886606 -0.073962 2.340487 0.000314
2008 740.994693 -0.076050 2.338793 0.000314
2009 741.012451 -0.077857 2.340924 0.000314
2010 741.017053 -0.124934 2.334764 0.000313
2011 741.382618 0.073817 2.334128 0.000313
2012 741.405388 -0.088880 2.334926 0.000313
2013 741.405704 -0.083760 2.331561 0.000313
2014 741.406459 -0.079815 2.329179 0.000312
2015 741.510961 0.076450 2.327575 0.000312
2016 741.626418 0.073887 2.334701 0.000313
2017 741.627412 0.142784 2.326450 0.000312
2018 741.642374 -0.080006 2.325340 0.000312
2019 741.847681 0.073726 2.323045 0.000312
2020 741.918746 -0.074684 2.320242 0.000311
2021 742.278040 0.073701 2.316606 0.000311
2022 742.705793 -0.073795 2.316134 0.000311
2023 742.776679 -0.073528 2.314637 0.000310
2024 742.807271 0.082817 2.311643 0.000310
2025 742.998370 -0.073017 2.308918 0.000310
2026 743.519354 0.072803 2.306148 0.000309
2027 743.849682 -0.072442 2.310200 0.000310
2028 743.850157 0.121797 2.303373 0.000309
2029 744.037670 -0.072392 2.301569 0.000309
2030 744.189205 -0.074876 2.298356 0.000308
2031 744.403707 0.076619 2.296529 0.000308
2032 744.419953 0.077634 2.301544 0.000309
2033 744.423510 0.137460 2.293201 0.000308
2034 745.069667 0.078318 2.299530 0.000308
2035 745.073566 0.137806 2.291344 0.000307
2036 745.097952 0.076289 2.288439 0.000307
2037 745.392678 0.074876 2.286640 0.000307
2038 745.843963 -0.073447 2.286177 0.000307
2039 745.850901 0.072509 2.284556 0.000306
2040 746.400868 0.072487 2.293726 0.000308
2041 746.404003 0.167618 2.282538 0.000306
2042 746.479060 0.072907 2.287415 0.000307
2043 746.481348 0.136332 2.278402 0.000306
2044 746.598471 0.072348 2.276151 0.000305
2045 746.617076 0.072233 2.273804 0.000305
2046 747.706004 0.075010 2.280028 0.000306
2047 747.711532 0.139772 2.271451 0.000305
2048 747.894630 0.074393 2.272016 0.000305
2049 748.287232 -0.072859 2.270777 0.000305
2050 748.293137 -0.076019 2.268212 0.000304
2051 748.395652 -0.072063 2.265877 0.000304
2052 748.672718 0.072007 2.264965 0.000304
2053 748.833681 0.071950 2.263956 0.000304
2054 748.834121 -0.081820 2.261067 0.000303
2055 748.908086 -0.077272 2.259985 0.000303
2056 749.418127 -0.075295 2.264847 0.000304
2057 749.418843 0.125345 2.257860 0.000303
2058 749.451517 -0.075294 2.255598 0.000303
2059 749.506493 -0.072795 2.255186 0.000303
2060 749.514160 -0.088001 2.251768 0.000302
2061 749.546828 -0.074186 2.250364 0.000302
2062 749.612546 -0.075968 2.248660 0.000302
2063 749.648459 -0.073703 2.247081 0.000301
2064 750.062749 0.072253 2.249936 0.000302
2065 750.063637 0.079932 2.246777 0.000301
2066 750.407123 -0.071876 2.244552 0.000301
2067 750.526228 0.078134 2.242817 0.000301
2068 750.665722 0.071763 2.244692 0.000301
2069 750.669992 -0.099134 2.239473 0.000300
2070 750.846360 0.073735 2.238855 0.000300
2071 750.878019 0.078604 2.235538 0.000300
2072 750.893536 0.076557 2.232060 0.000299
2073 751.405722 -0.072832 2.230582 0.000299
2074 751.729984 0.072052 2.228059 0.000299
2075 751.832412 0.071651 2.225757 0.000299
2076 752.237985 0.071757 2.223884 0.000298
2077 752.422144 -0.071190 2.221543 0.000298
2078 752.786713 0.071171 2.220287 0.000298
2079 752.788286 -0.071143 2.217872 0.000298
2080 752.810796 -0.073549 2.216511 0.000297
2081 753.134264 -0.076064 2.215143 0.000297
2082 753.781095 0.070763 2.213766 0.000297
2083 754.158865 0.070642 2.212845 0.000297
2084 754.775233 0.070333 2.212621 0.000297
2085 754.779758 0.072920 2.212062 0.000297
2086 754.789448 -0.082355 2.210111 0.000296
2087 754.977427 -0.072379 2.208520 0.000296
2088 754.990999 -0.075612 2.205672 0.000296
2089 754.999280 -0.072816 2.203583 0.000296
2090 755.000924 0.070185 2.201496 0.000295
2091 755.008250 -0.074368 2.199101 0.000295
2092 755.776281 -0.070090 2.196241 0.000295
2093 756.262268 -0.070050 2.194066 0.000294
2094 756.453029 0.070015 2.191009 0.000294
2095 756.668834 -0.069556 2.187586 0.000293
2096 756.827572 0.069480 2.185116 0.000293
2097 756.892191 0.069408 2.183297 0.000293
2098 757.198089 0.069369 2.180692 0.000293
2099 757.401639 0.069627 2.178437 0.000292
2100 757.412583 0.069324 2.185348 0.000293
2101 757.413110 -0.135552 2.177072 0.000292
2102 757.490373 -0.074309 2.185299 0.000293
2103 757.490854 0.150277 2.174519 0.000292
2104 757.506726 0.072795 2.179811 0.000292
2105 757.507146 -0.125727 2.172172 0.000291
2106 757.732689 -0.076144 2.171055 0.000291
2107 757.908688 0.068965 2.168166 0.000291
2108 758.045736 -0.069153 2.167040 0.000291
2109 758.051553 -0.071076 2.165440 0.000290
2110 758.190009 -0.072809 2.162002 0.000290
2111 758.331765 -0.070494 2.164064 0.000290
2112 758.332614 -0.106642 2.159597 0.000290
2113 758.395331 -0.073075 2.158025 0.000289
2114 758.446808 -0.071378 2.157395 0.000289
2115 758.734774 -0.068927 2.155721 0.000289
2116 758.794918 -0.068783 2.152685 0.000289
2117 758.973473 0.068773 2.150316 0.000288
2118 759.459717 0.068087 2.147440 0.000288
2119 759.497422 0.067988 2.146614 0.000288
2120 759.733192 -0.067931 2.143611 0.000288
2121 759.907159 0.067867 2.142080 0.000287
2122 759.916404 -0.085182 2.139291 0.000287
2123 760.013827 -0.068797 2.138168 0.000287
2124 760.235871 -0.068381 2.135218 0.000286
2125 760.290860 0.067583 2.134315 0.000286
2126 760.392249 0.067377 2.133742 0.000286
2127 760.478772 0.067212 2.133211 0.000286
2128 760.499198 0.075067 2.129780 0.000286
2129 760.523151 -0.070583 2.127355 0.000285
2130 760.937247 -0.067734 2.125191 0.000285
2131 761.352534 0.066794 2.123397 0.000285
2132 761.445397 -0.066610 2.122891 0.000285
2133 761.446787 0.068065 2.120911 0.000284
2134 761.720193 0.066942 2.120965 0.000285
2135 761.791975 0.066185 2.120007 0.000284
2136 762.183132 0.066111 2.118828 0.000284
2137 762.183395 0.082146 2.115714 0.000284
2138 762.260222 0.067072 2.115923 0.000284
2139 762.407448 -0.066001 2.113807 0.000284
2140 762.456236 0.068579 2.111281 0.000283
2141 762.767286 0.065823 2.109669 0.000283
2142 762.874408 0.066837 2.107635 0.000283
2143 762.919305 -0.069900 2.105515 0.000282
2144 763.246229 0.066210 2.105024 0.000282
2145 763.288846 -0.065754 2.103139 0.000282
2146 763.461144 -0.066618 2.100192 0.000282
2147 763.498486 -0.071971 2.097293 0.000281
2148 764.016791 0.069065 2.094422 0.000281
2149 764.084202 -0.065675 2.096172 0.000281
2150 764.084349 0.071515 2.093505 0.000281
2151 764.087253 -0.066598 2.091916 0.000281
2152 764.335637 -0.065650 2.089869 0.000280
2153 764.422564 -0.066011 2.088635 0.000280
2154 764.492895 0.065638 2.084640 0.000280
2155 764.538048 -0.065597 2.083170 0.000279
2156 764.643428 0.065172 2.081954 0.000279
2157 764.684238 -0.065048 2.080577 0.000279
2158 764.684386 -0.067384 2.078375 0.000279
2159 764.698110 0.064938 2.079041 0.000279
2160 764.705844 -0.067650 2.075690 0.000278
2161 764.845945 -0.065458 2.074959 0.000278
2162 765.125659 0.064687 2.072979 0.000278
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11645 860.991638 0.000012 0.000352 0.000000
11646 860.991638 0.000012 0.000352 0.000000
11647 860.991638 0.000013 0.000352 0.000000
11648 860.991638 -0.000013 0.000351 0.000000
11649 860.991638 -0.000012 0.000351 0.000000
11650 860.991638 -0.000012 0.000350 0.000000
11651 860.991638 0.000012 0.000350 0.000000
11652 860.991638 -0.000012 0.000350 0.000000
11653 860.991638 -0.000012 0.000349 0.000000
11654 860.991638 -0.000012 0.000350 0.000000
11655 860.991638 0.000012 0.000350 0.000000
11656 860.991638 0.000012 0.000350 0.000000
11657 860.991638 0.000012 0.000349 0.000000
11658 860.991638 0.000012 0.000352 0.000000
11659 860.991638 -0.000034 0.000349 0.000000
11660 860.991638 0.000013 0.000357 0.000000
11661 860.991638 -0.000053 0.000349 0.000000
11662 860.991638 0.000013 0.000351 0.000000
11663 860.991638 0.000031 0.000349 0.000000
11664 860.991638 0.000012 0.000348 0.000000
11665 860.991638 0.000012 0.000348 0.000000
11666 860.991638 -0.000012 0.000348 0.000000
11667 860.991638 -0.000012 0.000347 0.000000
11668 860.991638 0.000012 0.000347 0.000000
11669 860.991638 -0.000012 0.000347 0.000000
11670 860.991638 0.000012 0.000346 0.000000
11671 860.991638 0.000012 0.000346 0.000000
11672 860.991638 0.000012 0.000346 0.000000
11673 860.991638 0.000012 0.000345 0.000000
11674 860.991639 0.000012 0.000345 0.000000
11675 860.991639 0.000012 0.000345 0.000000
11676 860.991639 -0.000012 0.000344 0.000000
11677 860.991639 -0.000012 0.000344 0.000000
11678 860.991639 -0.000012 0.000344 0.000000
11679 860.991639 -0.000012 0.000344 0.000000
11680 860.991639 -0.000012 0.000344 0.000000
11681 860.991639 -0.000013 0.000343 0.000000
11682 860.991639 0.000012 0.000343 0.000000
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11685 860.991639 -0.000012 0.000342 0.000000
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11690 860.991639 0.000012 0.000340 0.000000
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11693 860.991639 -0.000012 0.000339 0.000000
11694 860.991639 -0.000012 0.000339 0.000000
11695 860.991639 0.000012 0.000339 0.000000
11696 860.991639 0.000012 0.000338 0.000000
11697 860.991639 -0.000012 0.000338 0.000000
11698 860.991639 -0.000012 0.000337 0.000000
11699 860.991639 0.000012 0.000337 0.000000
11700 860.991639 0.000012 0.000337 0.000000
11701 860.991639 0.000012 0.000337 0.000000
11702 860.991639 -0.000012 0.000336 0.000000
11703 860.991639 -0.000012 0.000336 0.000000
11704 860.991639 0.000012 0.000335 0.000000
11705 860.991639 0.000012 0.000335 0.000000
11706 860.991639 0.000015 0.000335 0.000000
11707 860.991639 -0.000012 0.000334 0.000000
11708 860.991639 0.000012 0.000334 0.000000
11709 860.991639 -0.000012 0.000334 0.000000
11710 860.991639 0.000012 0.000333 0.000000
11711 860.991639 -0.000012 0.000333 0.000000
11712 860.991639 -0.000012 0.000332 0.000000
11713 860.991639 0.000012 0.000332 0.000000
11714 860.991639 0.000012 0.000332 0.000000
11715 860.991639 0.000011 0.000331 0.000000
11716 860.991639 0.000011 0.000332 0.000000
11717 860.991639 -0.000014 0.000331 0.000000
11718 860.991639 -0.000011 0.000331 0.000000
11719 860.991639 -0.000011 0.000330 0.000000
11720 860.991639 -0.000011 0.000330 0.000000
11721 860.991639 0.000011 0.000330 0.000000
11722 860.991639 -0.000012 0.000330 0.000000
11723 860.991639 0.000011 0.000329 0.000000
11724 860.991639 0.000011 0.000329 0.000000
11725 860.991639 0.000011 0.000328 0.000000
11726 860.991639 0.000011 0.000328 0.000000
11727 860.991639 0.000012 0.000328 0.000000
11728 860.991639 -0.000011 0.000328 0.000000
11729 860.991639 0.000011 0.000328 0.000000
11730 860.991639 -0.000014 0.000328 0.000000
11731 860.991639 -0.000012 0.000327 0.000000
11732 860.991639 0.000011 0.000327 0.000000
11733 860.991639 -0.000011 0.000327 0.000000
11734 860.991639 -0.000011 0.000326 0.000000
11735 860.991639 0.000011 0.000326 0.000000
11736 860.991639 0.000011 0.000326 0.000000
11737 860.991639 -0.000011 0.000325 0.000000
11738 860.991639 0.000011 0.000325 0.000000
11739 860.991639 -0.000011 0.000325 0.000000
11740 860.991639 -0.000011 0.000326 0.000000
11741 860.991639 -0.000015 0.000325 0.000000
11742 860.991639 -0.000011 0.000325 0.000000
11743 860.991639 -0.000011 0.000325 0.000000
11744 860.991639 0.000011 0.000324 0.000000
11745 860.991639 0.000011 0.000324 0.000000
11746 860.991639 0.000011 0.000323 0.000000
11747 860.991639 0.000011 0.000323 0.000000
11748 860.991639 0.000011 0.000323 0.000000
11749 860.991639 0.000013 0.000323 0.000000
11750 860.991639 -0.000013 0.000323 0.000000
11751 860.991639 -0.000012 0.000323 0.000000
11752 860.991639 0.000014 0.000323 0.000000
11753 860.991639 0.000013 0.000323 0.000000
11754 860.991639 0.000012 0.000324 0.000000
11755 860.991639 0.000012 0.000324 0.000000
11756 860.991639 -0.000012 0.000323 0.000000
11757 860.991639 0.000012 0.000323 0.000000
11758 860.991639 -0.000011 0.000322 0.000000
11759 860.991639 -0.000011 0.000322 0.000000
11760 860.991639 -0.000011 0.000322 0.000000
11761 860.991639 0.000011 0.000321 0.000000
11762 860.991639 -0.000011 0.000321 0.000000
11763 860.991639 0.000011 0.000320 0.000000
11764 860.991639 0.000011 0.000320 0.000000
11765 860.991639 -0.000011 0.000320 0.000000
11766 860.991639 -0.000011 0.000319 0.000000
11767 860.991639 0.000011 0.000319 0.000000
11768 860.991639 0.000011 0.000319 0.000000
11769 860.991639 0.000011 0.000319 0.000000
11770 860.991639 0.000013 0.000318 0.000000
11771 860.991639 0.000011 0.000318 0.000000
11772 860.991639 0.000011 0.000318 0.000000
11773 860.991639 -0.000012 0.000319 0.000000
11774 860.991639 0.000014 0.000319 0.000000
11775 860.991639 0.000015 0.000319 0.000000
11776 860.991639 -0.000012 0.000319 0.000000
11777 860.991639 0.000011 0.000318 0.000000
11778 860.991639 -0.000011 0.000318 0.000000
11779 860.991639 -0.000011 0.000318 0.000000
11780 860.991639 -0.000011 0.000317 0.000000
11781 860.991639 0.000011 0.000317 0.000000
11782 860.991639 0.000011 0.000317 0.000000
11783 860.991639 -0.000011 0.000316 0.000000
11784 860.991639 0.000011 0.000316 0.000000
11785 860.991639 0.000011 0.000316 0.000000
11786 860.991639 0.000011 0.000316 0.000000
11787 860.991639 0.000011 0.000316 0.000000
11788 860.991639 0.000011 0.000315 0.000000
11789 860.991639 -0.000011 0.000315 0.000000
11790 860.991639 0.000011 0.000315 0.000000
11791 860.991639 -0.000011 0.000314 0.000000
11792 860.991639 0.000011 0.000314 0.000000
11793 860.991639 0.000011 0.000314 0.000000
11794 860.991639 -0.000011 0.000313 0.000000
11795 860.991639 -0.000011 0.000313 0.000000
11796 860.991639 0.000011 0.000313 0.000000
11797 860.991639 0.000011 0.000313 0.000000
11798 860.991639 -0.000011 0.000312 0.000000
11799 860.991639 -0.000011 0.000312 0.000000
11800 860.991639 0.000011 0.000312 0.000000
11801 860.991639 -0.000011 0.000312 0.000000
11802 860.991639 0.000011 0.000311 0.000000
11803 860.991639 0.000011 0.000311 0.000000
11804 860.991639 -0.000011 0.000311 0.000000
11805 860.991639 -0.000011 0.000310 0.000000
11806 860.991639 -0.000011 0.000310 0.000000
11807 860.991639 0.000011 0.000310 0.000000
11808 860.991639 -0.000012 0.000310 0.000000
11809 860.991639 -0.000011 0.000310 0.000000
11810 860.991639 -0.000011 0.000309 0.000000
11811 860.991639 -0.000011 0.000309 0.000000
11812 860.991639 -0.000011 0.000309 0.000000
11813 860.991639 -0.000011 0.000309 0.000000
11814 860.991639 0.000011 0.000308 0.000000
11815 860.991639 -0.000011 0.000308 0.000000
11816 860.991639 -0.000011 0.000307 0.000000
11817 860.991639 0.000011 0.000308 0.000000
11818 860.991639 -0.000017 0.000307 0.000000
11819 860.991639 -0.000011 0.000307 0.000000
11820 860.991639 0.000011 0.000306 0.000000
11821 860.991639 0.000011 0.000306 0.000000
11822 860.991639 -0.000011 0.000306 0.000000
11823 860.991639 0.000011 0.000306 0.000000
11824 860.991639 -0.000011 0.000305 0.000000
11825 860.991639 -0.000011 0.000305 0.000000
11826 860.991639 -0.000011 0.000305 0.000000
11827 860.991639 0.000011 0.000306 0.000000
11828 860.991639 0.000012 0.000305 0.000000
11829 860.991639 0.000011 0.000305 0.000000
11830 860.991639 -0.000011 0.000305 0.000000
11831 860.991639 0.000011 0.000305 0.000000
11832 860.991639 0.000011 0.000304 0.000000
11833 860.991639 0.000011 0.000304 0.000000
11834 860.991639 -0.000011 0.000304 0.000000
11835 860.991639 0.000011 0.000304 0.000000
11836 860.991639 -0.000012 0.000304 0.000000
11837 860.991639 -0.000011 0.000303 0.000000
11838 860.991639 -0.000011 0.000303 0.000000
11839 860.991639 0.000011 0.000302 0.000000
11840 860.991639 -0.000011 0.000302 0.000000
11841 860.991639 -0.000011 0.000302 0.000000
11842 860.991639 -0.000010 0.000302 0.000000
11843 860.991639 -0.000010 0.000301 0.000000
11844 860.991639 0.000010 0.000301 0.000000
11845 860.991639 0.000010 0.000301 0.000000
11846 860.991639 0.000010 0.000301 0.000000
11847 860.991639 -0.000010 0.000300 0.000000
11848 860.991639 -0.000010 0.000300 0.000000
11849 860.991639 -0.000010 0.000300 0.000000
11850 860.991639 -0.000010 0.000300 0.000000
11851 860.991639 -0.000010 0.000300 0.000000
11852 860.991639 -0.000012 0.000299 0.000000
11853 860.991639 0.000012 0.000300 0.000000
11854 860.991639 -0.000011 0.000299 0.000000
11855 860.991639 0.000010 0.000303 0.000000
11856 860.991639 0.000033 0.000299 0.000000
11857 860.991639 0.000010 0.000299 0.000000
11858 860.991639 -0.000010 0.000298 0.000000
11859 860.991639 0.000010 0.000298 0.000000
11860 860.991639 -0.000010 0.000298 0.000000
11861 860.991639 -0.000011 0.000298 0.000000
11862 860.991639 -0.000012 0.000297 0.000000
11863 860.991639 -0.000010 0.000297 0.000000
11864 860.991639 0.000010 0.000297 0.000000
11865 860.991639 -0.000010 0.000297 0.000000
11866 860.991639 0.000010 0.000297 0.000000
11867 860.991639 -0.000010 0.000297 0.000000
11868 860.991639 0.000010 0.000297 0.000000
11869 860.991639 0.000011 0.000297 0.000000
11870 860.991639 0.000010 0.000297 0.000000
11871 860.991639 0.000011 0.000297 0.000000
11872 860.991639 -0.000011 0.000297 0.000000
11873 860.991639 -0.000011 0.000297 0.000000
11874 860.991639 0.000012 0.000298 0.000000
11875 860.991639 0.000011 0.000298 0.000000
11876 860.991639 -0.000016 0.000298 0.000000
11877 860.991639 -0.000013 0.000297 0.000000
11878 860.991639 -0.000011 0.000297 0.000000
11879 860.991639 -0.000011 0.000297 0.000000
11880 860.991639 -0.000011 0.000296 0.000000
11881 860.991639 -0.000011 0.000296 0.000000
11882 860.991639 -0.000011 0.000297 0.000000
11883 860.991639 -0.000011 0.000296 0.000000
11884 860.991639 0.000011 0.000297 0.000000
11885 860.991639 -0.000011 0.000296 0.000000
11886 860.991639 -0.000010 0.000296 0.000000
11887 860.991639 -0.000010 0.000296 0.000000
11888 860.991639 -0.000010 0.000296 0.000000
11889 860.991639 0.000011 0.000296 0.000000
11890 860.991639 0.000011 0.000296 0.000000
11891 860.991639 0.000011 0.000296 0.000000
11892 860.991639 -0.000011 0.000296 0.000000
11893 860.991639 0.000011 0.000296 0.000000
11894 860.991639 -0.000011 0.000296 0.000000
11895 860.991639 -0.000010 0.000295 0.000000
11896 860.991639 -0.000010 0.000295 0.000000
11897 860.991639 0.000010 0.000295 0.000000
11898 860.991639 0.000010 0.000294 0.000000
11899 860.991639 0.000010 0.000294 0.000000
11900 860.991639 -0.000010 0.000294 0.000000
11901 860.991639 0.000010 0.000293 0.000000
11902 860.991639 -0.000010 0.000293 0.000000
11903 860.991639 -0.000010 0.000293 0.000000
11904 860.991639 0.000010 0.000293 0.000000
11905 860.991639 0.000010 0.000292 0.000000
11906 860.991639 -0.000010 0.000292 0.000000
11907 860.991639 -0.000010 0.000292 0.000000
11908 860.991639 -0.000010 0.000291 0.000000
11909 860.991639 -0.000010 0.000291 0.000000
11910 860.991639 -0.000010 0.000291 0.000000
11911 860.991639 -0.000010 0.000290 0.000000
11912 860.991639 -0.000010 0.000290 0.000000
11913 860.991639 0.000010 0.000290 0.000000
11914 860.991639 0.000010 0.000290 0.000000

Number of molecular orbitals : 100
Number of pi orbitals :  12
Number of occupied pi orbitals :  1
Number of virtual pi orbitals :  11
Number of sigma orbitals :  88
Number of occupied sigma orbitals :  12
Number of virtual sigma orbitals :  71

All MOs before the localization Average : 13.7419572392; Median : 12.7367895495; Variance : 39.8929786651; Standard deviation : 6.31608887407
All MOs after the localization Average : 4.80389596716; Median : 3.16966674411; Variance : 14.1829789466; Standard deviation : 3.7660295998

Distribution of the spatial extent, before localization / sorting before localization / after localization / sorting after localization =



           -- 1 --  -- 2 --   -- 3 --   -- 4 --
        1   0.176852 0.176852 0.0976755 0.0976446
        2    2.95585  2.95585 0.0976497 0.0976456
        3    3.73103  3.73103 0.0976497 0.0976497
        4    5.26892  5.02962 0.0976456 0.0976497
        5    5.36663  5.03795 0.0976446 0.0976755
        6    7.50405  5.26892   2.27968   1.45877
        7    10.7554  5.36663   2.27967   1.46658
        8    10.8415  6.59551   2.63389     1.473
        9     14.221  7.44587   2.27782   1.48212
       10    13.5301  7.46733   2.27782   1.57224
       11    10.9666  7.47353   4.76389   1.57389
       12    5.03795  7.50405   2.63389   1.57397
       13    10.1285    8.051   2.11105   1.57485
       14    9.01038  8.12502   2.45239   1.58683
       15    9.02446  8.41505   2.11107   1.58721
       16    7.47353  9.01038    2.4524   1.58722
       17    8.41505  9.02446   4.77068   1.59012
       18    9.38418  9.12729   9.38418   1.63155
       19     9.5873  9.32908   7.76792   1.63362
       20    8.12502  9.38418   10.7712   1.64826
       21    7.44587  9.50759    4.7923    1.6508
       22    6.59551   9.5873   8.58386   1.73503
       23    7.46733  9.65621   12.1809    1.7351
       24      8.051  9.95573   7.28394   1.80378
       25    11.7928  10.1285    5.3302   1.89528
       26    5.02962  10.3213    12.715   1.91168
       27    9.32908  10.3872   19.5357   2.11105
       28    14.0388  10.7266   3.31606   2.11107
       29    12.7518  10.7554   6.15622   2.15436
       30    13.6879  10.8142   6.65628   2.27782
       31    12.7144  10.8415   6.57074   2.27782
       32    10.3872  10.9666   2.15436   2.27967
       33    9.50759  11.0981   2.92539   2.27968
       34    11.3943  11.1342   6.99119   2.45239
       35    12.3958  11.1649    5.3635    2.4524
       36    11.8038  11.2672   1.57389   2.63389
       37    11.8945  11.3943   3.00887   2.63389
       38    10.3213  11.6021   2.95831   2.88945
       39    12.9983   11.734   1.57397    2.9022
       40    9.12729  11.7928   1.57224   2.92539
       41    12.8165  11.8038   3.24115   2.95831
       42    9.65621  11.8945   1.59012   2.95845
       43    13.3423  11.9589   3.07222   2.97344
       44    11.0981  12.0207   6.89083   2.98048
       45    11.1649  12.0514   3.10255   3.00887
       46    13.3345  12.1671   1.80378   3.02056
       47    11.1342  12.3958   3.28342   3.04533
       48    12.7218  12.5834   2.98048   3.07222
       49    12.1671  12.7144   1.89528   3.10255
       50    12.5834  12.7218   7.01719   3.16966
       51    16.7745  12.7518   1.58721   3.16967
       52    14.2418  12.7659   3.04533   3.24115
       53    10.7266  12.8165   3.02056   3.28342
       54    14.4597  12.8922   6.64809   3.31418
       55     11.734  12.9656   4.79409   3.31606
       56    12.9656  12.9983    2.9022   4.43766
       57    16.2745  13.3345   3.31418   4.76389
       58    13.7327  13.3423    1.6508   4.77068
       59    16.7716  13.5301   1.48212    4.7923
       60    12.0207  13.6879   8.14728   4.79409
       61    15.3126  13.7327   1.73503    5.3302
       62    13.7862  13.7862   1.45877    5.3635
       63    9.95573  14.0388   6.47701   6.02408
       64    10.8142   14.221   8.52967   6.05847
       65    11.9589  14.2418   1.63362   6.15622
       66    11.2672  14.3815   3.16967   6.47701
       67    12.7659  14.4597    6.4948   6.47766
       68    12.8922  14.6733   6.05847    6.4948
       69    17.2281  15.0149   2.88945   6.57074
       70    15.5428  15.3126   7.99712   6.57091
       71    15.0149   15.375   19.6792   6.60547
       72    16.5831  15.5428   6.47766   6.64809
       73    14.6733  15.6873   1.58722   6.65628
       74    18.3822  16.1181   4.43766   6.70527
       75    17.2477  16.2745   1.46658   6.76446
       76    16.3614  16.3614   8.48483   6.89083
       77    16.5673  16.5673   6.02408   6.99119
       78    12.0514  16.5831   2.95845   7.01719
       79    16.7419  16.7419    1.7351   7.28394
       80     16.828  16.7716   1.91168   7.76792
       81    17.3352  16.7745   8.02971   7.99712
       82    17.5278   16.828   8.01109   8.00557
       83    16.1181  17.2281   1.57485   8.01109
       84    11.6021  17.2477   1.64826   8.02971
       85    18.3753  17.3352   12.0703   8.05202
       86    14.3815  17.5278   3.16966   8.14728
       87     15.375  18.3753     1.473   8.18265
       88    20.9238  18.3822   2.97344   8.18267
       89    20.2496  20.2496   6.57091   8.48483
       90    26.5494  20.9238   12.0679   8.52967
       91    28.4455   22.121   6.76446   8.58386
       92     37.544  23.8837   8.00557   9.38418
       93    25.8835  25.8835   8.05202   10.7712
       94    23.8837  26.5494   1.63155   11.7103
       95    15.6873  26.6539   8.18267   12.0679
       96    33.1796  28.4455   11.7103   12.0703
       97    29.5394  29.5394   6.70527   12.1809
       98     22.121  30.8855   8.18265    12.715
       99    30.8855  33.1796   1.58683   19.5357
      100    26.6539   37.544   6.60547   19.6792


Occupied orbitals :  Number of molecular orbitals : 13
Occupied orbitals before localization Average : 9.71482401491; Median : 9.38418178704; Variance : 6.12566684668; Standard deviation : 2.47500845386
Occupied orbitals after localization Average : 3.26372485215; Median : 2.45238666648; Variance : 4.21910527481; Standard deviation : 2.05404607417


Core orbitals :  Number of molecular orbitals : 5
Core orbitalses before localization :  Average : 11.3704065664; Median : 10.8414878225; Variance : 7.09923853653; Standard deviation : 2.66443962899
Core orbitals after localization :  Average : 2.34977588445; Median : 2.27967443857; Variance : 0.0252256156506; Standard deviation : 0.158825739887


Valence orbitals :  Number of molecular orbitals : 8
Valence orbitals before localization :  Average : 8.68008492022; Median : 9.0174179651; Variance : 3.26297144818; Standard deviation : 1.80636968757
Valence rbitals after localization :  Average : 3.83494295696; Median : 2.5431442824; Variance : 6.24878946733; Standard deviation : 2.49975788174


Virtual orbitals :  Number of molecular orbitals : 87
Virtual orbitals before localization :  Average : 14.3437127784; Median : 12.9655604454; Variance : 42.2507199208; Standard deviation : 6.50005537828
Virtual orbitals after localization :  Average : 5.0340364786; Median : 3.31417989914; Variance : 15.3260473907; Standard deviation : 3.91484960001

+ qp set_file cyclopentadiene.localized
+ case $1 in
+ [[ -d cyclopentadiene.localized ]]
+ ezfio set_file cyclopentadiene.localized
+ case $1 in
+ shift
+ _ezfio_set_file cyclopentadiene.localized
+ _require_first_argument cyclopentadiene.localized
+ [[ -z cyclopentadiene.localized ]]
+ return 0
+ [[ ! -d cyclopentadiene.localized ]]
+ export EZFIO_FILE=cyclopentadiene.localized
+ EZFIO_FILE=cyclopentadiene.localized
+ _ezfio_info 'Set file cyclopentadiene.localized'
+ :
+ return 0
+ qp set determinants n_states 1
+ case $1 in
+ ezfio set determinants n_states 1
+ case $1 in
+ shift
+ _ezfio_set determinants n_states 1
+ _require_ezfio_file
+ [[ -z cyclopentadiene.localized ]]
+ [[ ! -d cyclopentadiene.localized ]]
+ _require_first_argument determinants n_states 1
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants n_states 1
+ [[ -z n_states ]]
+ [[ -z 1 ]]
+ _ezfio_py set determinants n_states
+ echo 1
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_states
+ return 0
+ qp set determinants read_wf False
+ case $1 in
+ ezfio set determinants read_wf False
+ case $1 in
+ shift
+ _ezfio_set determinants read_wf False
+ _require_ezfio_file
+ [[ -z cyclopentadiene.localized ]]
+ [[ ! -d cyclopentadiene.localized ]]
+ _require_first_argument determinants read_wf False
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants read_wf False
+ [[ -z read_wf ]]
+ [[ -z False ]]
+ echo False
+ _ezfio_py set determinants read_wf
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants read_wf
+ return 0
+ qp set determinants s2_eig False
+ case $1 in
+ ezfio set determinants s2_eig False
+ case $1 in
+ shift
+ _ezfio_set determinants s2_eig False
+ _require_ezfio_file
+ [[ -z cyclopentadiene.localized ]]
+ [[ ! -d cyclopentadiene.localized ]]
+ _require_first_argument determinants s2_eig False
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants s2_eig False
+ [[ -z s2_eig ]]
+ [[ -z False ]]
+ _ezfio_py set determinants s2_eig
+ echo False
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants s2_eig
+ return 0
+ qp set determinants n_det_max 1e8
+ case $1 in
+ ezfio set determinants n_det_max 1e8
+ case $1 in
+ shift
+ _ezfio_set determinants n_det_max 1e8
+ _require_ezfio_file
+ [[ -z cyclopentadiene.localized ]]
+ [[ ! -d cyclopentadiene.localized ]]
+ _require_first_argument determinants n_det_max 1e8
+ [[ -z determinants ]]
+ return 0
+ _require_second_argument determinants n_det_max 1e8
+ [[ -z n_det_max ]]
+ [[ -z 1e8 ]]
+ echo 1e8
+ _ezfio_py set determinants n_det_max
+ python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_det_max
+ return 0
+ qp run fci
+ case $1 in
+ which qp_run
+ [[ 0 -eq 0 ]]
+ COMMAND='qp_$@'
+ eval 'qp_$@' cyclopentadiene.localized
++ qp_run fci cyclopentadiene.localized
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