From 87fdb04442becce6841db5ade73999dd46799c8e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Mon, 30 Nov 2020 11:18:11 +0100
Subject: [PATCH] Run localization of pyrazine

---
 pyrazine/cc-pvdz/pyrazine.mo      | 11442 +++++++++++
 pyrazine/cc-pvdz/slurm-504433.out | 29891 ++++++++++++++++++++++++++++
 2 files changed, 41333 insertions(+)
 create mode 100644 pyrazine/cc-pvdz/pyrazine.mo
 create mode 100644 pyrazine/cc-pvdz/slurm-504433.out

diff --git a/pyrazine/cc-pvdz/pyrazine.mo b/pyrazine/cc-pvdz/pyrazine.mo
new file mode 100644
index 0000000..ef6c526
--- /dev/null
+++ b/pyrazine/cc-pvdz/pyrazine.mo
@@ -0,0 +1,11442 @@
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diff --git a/pyrazine/cc-pvdz/slurm-504433.out b/pyrazine/cc-pvdz/slurm-504433.out
new file mode 100644
index 0000000..6fec46c
--- /dev/null
+++ b/pyrazine/cc-pvdz/slurm-504433.out
@@ -0,0 +1,29891 @@
++ INPUT=pyrazine
++ source /users/p18005/veril/tmpdir/qp2/quantum_package.rc
+++ QP_ROOT=/NOT/FOUND
+++ case "$(ps -p $$ -ocomm=)" in
++++ ps -p 2473 -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/pyrazine/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 2473 -ocomm=
++++ [[ slurm_script == \z\s\h ]]
+++ for SCRIPT in '*.rc'
+++ source configure.rc
++++ source /tmpdir/veril/qp2/etc/autocomplete.rc
++++++ ps -p 2473 -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 2473 -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 2473 -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 2473 -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 2473 -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 2473 -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 2473 -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/pyrazine/cc-pvdz
+++ [[ -z /tmpdir/veril/qp2 ]]
++ set -e
++ ./localize.sh pyrazine.ang /tmpdir/veril/qp2/data/basis/cc-pvdz pyrazine
+
+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: [1,2,3,4,5,6,]
+Occupied: [7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,]
+Virtual: [22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,]
+Sigma occ: [7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,]
+Pi occ: []
+Sigma vir: [22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,]
+Pi vir: []
+
+0 9.089176 0.784610 1.960548 0.002971
+1 23.302679 0.784609 1.109723 0.001681
+2 32.391794 0.784608 1.568645 0.002377
+3 35.848890 -0.785254 1.107881 0.001679
+4 39.310203 0.783388 0.003861 0.000006
+5 39.310296 0.002700 0.000571 0.000001
+6 39.310297 0.000335 0.000319 0.000000
+7 39.310298 0.000144 0.000245 0.000000
+8 39.310299 -0.000144 0.000136 0.000000
+9 39.310299 0.000073 0.000088 0.000000
+10 39.310299 -0.000061 0.000015 0.000000
+11 39.310299 -0.000009 0.000008 0.000000
+0 2.991530 0.785361 8.687696 0.005265
+1 4.237019 0.785268 8.087511 0.004902
+2 6.996957 -0.785279 7.426775 0.004501
+3 11.219465 0.785150 7.025679 0.004258
+4 12.930548 -0.785028 6.733969 0.004081
+5 18.501309 0.784547 6.698840 0.004060
+6 18.814851 -0.784591 6.806100 0.004125
+7 18.902128 0.785253 6.295587 0.003816
+8 24.103705 0.784331 6.200213 0.003758
+9 25.278707 0.784215 6.246618 0.003786
+10 25.326092 0.784825 5.923521 0.003590
+11 29.339869 0.783091 5.298593 0.003211
+12 30.883220 0.782466 4.865762 0.002949
+13 31.198226 0.781241 4.839922 0.002933
+14 32.573044 -0.750023 4.657803 0.002823
+15 34.630226 -0.774664 4.602029 0.002789
+16 35.252519 -0.753615 4.646511 0.002816
+17 37.219001 0.732771 4.532206 0.002747
+18 38.213757 -0.669573 4.429152 0.002684
+19 38.753234 0.775429 4.387458 0.002659
+20 41.252848 0.737595 4.294138 0.002603
+21 42.316986 -0.774847 4.154598 0.002518
+22 44.053323 -0.741613 3.949945 0.002394
+23 45.740309 0.714887 3.789673 0.002297
+24 48.792021 0.650570 3.820554 0.002315
+25 49.787762 -0.714546 3.749491 0.002272
+26 50.556601 0.759497 3.771435 0.002286
+27 51.095536 0.759825 3.604326 0.002184
+28 52.634130 0.692298 3.437402 0.002083
+29 53.393404 0.607200 3.339166 0.002024
+30 55.681434 0.588676 3.370251 0.002043
+31 56.080661 0.665937 3.325187 0.002015
+32 57.106750 -0.563281 3.391082 0.002055
+33 57.754136 0.714552 3.331077 0.002019
+34 58.695709 0.575036 3.242901 0.001965
+35 60.327936 -0.535815 3.087223 0.001871
+36 60.876684 -0.518225 2.985812 0.001810
+37 61.783844 -0.599146 2.986850 0.001810
+38 62.432257 -0.595920 2.911215 0.001764
+39 64.183850 -0.509206 2.779707 0.001685
+40 65.375490 0.491695 2.651934 0.001607
+41 67.159810 0.467093 2.467228 0.001495
+42 74.716342 -0.463342 2.516057 0.001525
+43 76.548043 -0.439273 2.412347 0.001462
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+28801 1029.874156 -0.000011 0.000364 0.000000
+28802 1029.874156 -0.000010 0.000364 0.000000
+28803 1029.874156 -0.000010 0.000364 0.000000
+28804 1029.874156 0.000010 0.000364 0.000000
+28805 1029.874156 0.000010 0.000364 0.000000
+28806 1029.874156 0.000010 0.000364 0.000000
+28807 1029.874156 0.000010 0.000364 0.000000
+28808 1029.874156 -0.000010 0.000363 0.000000
+28809 1029.874156 -0.000010 0.000363 0.000000
+28810 1029.874156 0.000010 0.000363 0.000000
+28811 1029.874156 0.000012 0.000363 0.000000
+28812 1029.874156 -0.000011 0.000363 0.000000
+28813 1029.874156 -0.000011 0.000364 0.000000
+28814 1029.874156 -0.000015 0.000363 0.000000
+28815 1029.874156 -0.000011 0.000364 0.000000
+28816 1029.874156 -0.000015 0.000364 0.000000
+28817 1029.874156 -0.000014 0.000363 0.000000
+28818 1029.874156 -0.000013 0.000363 0.000000
+28819 1029.874156 0.000011 0.000363 0.000000
+28820 1029.874156 -0.000012 0.000363 0.000000
+28821 1029.874156 -0.000011 0.000363 0.000000
+28822 1029.874156 -0.000010 0.000363 0.000000
+28823 1029.874156 -0.000010 0.000363 0.000000
+28824 1029.874156 0.000011 0.000363 0.000000
+28825 1029.874156 -0.000011 0.000363 0.000000
+28826 1029.874156 -0.000010 0.000363 0.000000
+28827 1029.874156 -0.000011 0.000364 0.000000
+28828 1029.874156 -0.000014 0.000363 0.000000
+28829 1029.874156 0.000010 0.000363 0.000000
+28830 1029.874156 -0.000010 0.000363 0.000000
+28831 1029.874156 -0.000010 0.000363 0.000000
+28832 1029.874156 -0.000010 0.000363 0.000000
+28833 1029.874156 -0.000012 0.000363 0.000000
+28834 1029.874156 -0.000010 0.000363 0.000000
+28835 1029.874156 -0.000014 0.000363 0.000000
+28836 1029.874156 0.000011 0.000363 0.000000
+28837 1029.874156 -0.000012 0.000363 0.000000
+28838 1029.874156 -0.000014 0.000363 0.000000
+28839 1029.874156 -0.000011 0.000363 0.000000
+28840 1029.874156 -0.000012 0.000363 0.000000
+28841 1029.874156 0.000010 0.000362 0.000000
+28842 1029.874156 0.000010 0.000362 0.000000
+28843 1029.874156 -0.000011 0.000362 0.000000
+28844 1029.874156 0.000010 0.000362 0.000000
+28845 1029.874156 0.000010 0.000362 0.000000
+28846 1029.874156 -0.000010 0.000363 0.000000
+28847 1029.874156 0.000018 0.000362 0.000000
+28848 1029.874156 0.000010 0.000362 0.000000
+28849 1029.874156 0.000010 0.000361 0.000000
+28850 1029.874156 0.000010 0.000362 0.000000
+28851 1029.874156 -0.000014 0.000361 0.000000
+28852 1029.874156 0.000010 0.000361 0.000000
+28853 1029.874156 -0.000010 0.000361 0.000000
+28854 1029.874156 -0.000010 0.000361 0.000000
+28855 1029.874156 -0.000010 0.000360 0.000000
+28856 1029.874156 0.000010 0.000360 0.000000
+28857 1029.874156 0.000010 0.000360 0.000000
+28858 1029.874156 0.000010 0.000360 0.000000
+28859 1029.874156 0.000010 0.000360 0.000000
+28860 1029.874156 -0.000010 0.000360 0.000000
+28861 1029.874156 0.000010 0.000360 0.000000
+28862 1029.874156 -0.000011 0.000365 0.000000
+28863 1029.874156 0.000036 0.000362 0.000000
+28864 1029.874156 -0.000027 0.000360 0.000000
+28865 1029.874156 0.000010 0.000361 0.000000
+28866 1029.874156 0.000018 0.000360 0.000000
+28867 1029.874156 -0.000010 0.000360 0.000000
+
+Number of molecular orbitals : 104
+Number of pi orbitals :  0
+Number of occupied pi orbitals :  0
+Number of virtual pi orbitals :  0
+Number of sigma orbitals :  104
+Number of occupied sigma orbitals :  15
+Number of virtual sigma orbitals :  83
+
+All MOs before the localization Average : 14.9140333254; Median : 13.3599312182; Variance : 47.5563421983; Standard deviation : 6.89611065734
+All MOs after the localization Average : 3.4607794239; Median : 2.94029459079; Variance : 4.68716694364; Standard deviation : 2.16498659202
+
+Distribution of the spatial extent, before localization / sorting before localization / after localization / sorting after localization =
+
+
+
+          -- 1 -- -- 2 --   -- 3 --   -- 4 --
+        1   7.17719 6.37159 0.0725716 0.0682527
+        2   7.17723 6.37162 0.0682527 0.0725716
+        3   6.37159 6.37203  0.101445  0.093863
+        4   6.37162 6.37209  0.093863  0.097653
+        5   6.37203 6.87458 0.0976534 0.0976534
+        6   6.37209 7.17719  0.097653  0.101445
+        7   8.09085 7.17723   3.75177   1.49553
+        8   10.3101 7.36436   1.88736   1.49558
+        9   11.7131 7.90555   2.20426   1.49586
+       10    12.046 8.09085   3.75178   1.49587
+       11   15.2504  8.5894   2.20198   1.57645
+       12   12.0243  8.8581   3.75182   1.57647
+       13   16.1997 8.99501   4.53763    1.5795
+       14     11.21 9.02782    2.1885   1.57954
+       15    9.7046 9.06075   2.18852   1.63438
+       16    8.8581 9.22226   1.88736   1.63443
+       17   10.5993 9.26832   2.20199   1.63719
+       18   10.2029 9.42128   2.20426   1.63721
+       19   9.02782 9.47687   3.75166   1.83604
+       20   10.1691 9.59314   4.53758   1.83609
+       21   9.63824  9.6169   2.04413   1.83748
+       22   9.59314 9.63824   7.77252   1.83753
+       23   10.0011  9.7046    6.6802   1.88736
+       24   9.42128 10.0011   2.89261   1.88736
+       25    8.5894 10.1023   6.63975   1.93587
+       26   6.87458 10.1074    1.5795   1.96371
+       27   7.36436 10.1691   2.18061   1.96379
+       28   7.90555 10.2029   1.57647   2.04413
+       29   9.26832 10.2919   3.29011   2.14117
+       30    15.126 10.3101    2.9086   2.14118
+       31   9.06075 10.5993   7.73585   2.18061
+       32   16.6516 10.7375   6.67975   2.18067
+       33   16.8006 10.9549    2.2786    2.1885
+       34   15.5607 11.1887   4.26417   2.18852
+       35   14.2628   11.21   3.42677   2.20198
+       36   17.3687 11.3649   2.98948   2.20199
+       37   13.2759 11.5144   4.43521   2.20426
+       38   12.8393 11.7131   2.99346   2.20426
+       39   9.22226 11.7189   4.26381   2.24008
+       40   13.3688 12.0243   1.83609   2.24017
+       41    9.6169  12.046   6.67946    2.2786
+       42   13.1635 12.0516   7.77265   2.27873
+       43   12.6226 12.4187   2.91865   2.44319
+       44   14.3448 12.4827   2.98759   2.44349
+       45   13.1223 12.6226   7.73373   2.87101
+       46   12.0516 12.8393   7.73381   2.87102
+       47   11.3649 12.9607   7.78781   2.89157
+       48   12.4187 13.0228   3.24478   2.89261
+       49   10.9549 13.1223   1.57954   2.90854
+       50   8.99501 13.1635   1.49587    2.9086
+       51   11.1887 13.2759   1.93587   2.91858
+       52   10.2919 13.3511   1.63443   2.91865
+       53   10.7375 13.3688   1.96371   2.96194
+       54   12.9607 13.4471   1.63721   2.96203
+       55   13.3511 13.5868   2.99807   2.98759
+       56   13.5868 13.6536   3.29004   2.98948
+       57   17.6008 13.9301   1.63719   2.99104
+       58   12.4827 13.9765   3.09732   2.99346
+       59   14.2638 14.2628   2.96203   2.99801
+       60   15.9206 14.2638   7.73599   2.99807
+       61   13.4471 14.3448   1.49553   3.09724
+       62    17.669 14.4893   6.64038   3.09732
+       63   15.5404 14.5851   2.24017   3.24478
+       64   9.47687 14.7749   3.24479   3.24479
+       65   14.7749 15.0663   2.87102   3.29004
+       66   18.5928  15.126   1.57645   3.29011
+       67   10.1023 15.1471   1.83604   3.35619
+       68   13.0228 15.2504   2.89157   3.35636
+       69   15.7057 15.2684   7.78776   3.42677
+       70   13.9301 15.5404   6.67971   3.42694
+       71   15.0663 15.5607   4.40871   3.75166
+       72   16.8324 15.7057   1.49586   3.75177
+       73   11.5144 15.9206   1.63438   3.75178
+       74   10.1074 16.1997   4.26186   3.75182
+       75   13.6536 16.6516   2.99801   4.26177
+       76   15.1471 16.8006   2.90854   4.26186
+       77   15.2684 16.8324   4.43527   4.26381
+       78   13.9765 17.3687   2.44319   4.26417
+       79   14.4893 17.6008   1.96379   4.40861
+       80   11.7189  17.669   3.09724   4.40871
+       81   20.2962 18.4767   1.83753   4.43521
+       82   20.0768 18.5928   6.63958   4.43527
+       83   14.5851 18.8023   1.83748   4.53758
+       84   21.0531 19.5073   7.92832   4.53763
+       85   19.5073 19.7077   6.63999   6.63958
+       86   18.4767 19.8206   2.96194   6.63975
+       87   18.8023 20.0768   2.24008   6.63999
+       88   19.8206 20.2962   2.14117   6.64038
+       89   21.8632 20.9052   3.42694   6.67946
+       90   20.9052 21.0531   4.40861   6.67971
+       91   21.1033 21.1033   2.18067   6.67975
+       92   21.1296 21.1296   2.91858    6.6802
+       93   19.7077 21.7223   7.92836   7.73373
+       94   22.4624 21.8632   2.14118   7.73381
+       95   25.5691 22.4624   2.87101   7.73585
+       96   21.7223 25.1774   2.27873   7.73599
+       97   25.1774 25.5691   3.35636   7.77252
+       98   31.6585 28.9393   4.26177   7.77265
+       99   42.0077 31.6585   2.99104   7.78776
+      100   39.8559 31.8945   7.92738   7.78781
+      101   32.4651 32.4651   3.35619   7.92738
+      102   28.9393 33.4625   1.49558   7.92747
+      103   33.4625 39.8559   2.44349   7.92832
+      104   31.8945 42.0077   7.92747   7.92836
+
+
+Occupied orbitals :  Number of molecular orbitals : 15
+Occupied orbitals before localization Average : 11.0029565336; Median : 10.3100699825; Variance : 5.01664858024; Standard deviation : 2.23978761945
+Occupied orbitals after localization Average : 2.87270536303; Median : 2.20425935431; Variance : 0.999477573493; Standard deviation : 0.999738752621
+
+
+Core orbitals :  Number of molecular orbitals : 6
+Core orbitalses before localization :  Average : 11.572436437; Median : 11.8686840695; Variance : 5.5380416685; Standard deviation : 2.35330441475
+Core orbitals after localization :  Average : 2.92482758873; Median : 2.97801605039; Variance : 0.833933134935; Standard deviation : 0.913199394949
+
+
+Valence orbitals :  Number of molecular orbitals : 9
+Valence orbitals before localization :  Average : 10.6233032647; Median : 10.1691062498; Variance : 4.91247477221; Standard deviation : 2.2164103348
+Valence rbitals after localization :  Average : 2.83795721256; Median : 2.20198526467; Variance : 1.22448163626; Standard deviation : 1.10656298341
+
+
+Virtual orbitals :  Number of molecular orbitals : 89
+Virtual orbitals before localization :  Average : 15.5732035712; Median : 13.9765025334; Variance : 51.817629085; Standard deviation : 7.1984462966
+Virtual orbitals after localization :  Average : 3.55989302966; Median : 2.9620312158; Variance : 5.25822443796; Standard deviation : 2.29308186464
+
++ qp set_file pyrazine.localized
++ case $1 in
++ [[ -d pyrazine.localized ]]
++ ezfio set_file pyrazine.localized
++ case $1 in
++ shift
++ _ezfio_set_file pyrazine.localized
++ _require_first_argument pyrazine.localized
++ [[ -z pyrazine.localized ]]
++ return 0
++ [[ ! -d pyrazine.localized ]]
++ export EZFIO_FILE=pyrazine.localized
++ EZFIO_FILE=pyrazine.localized
++ _ezfio_info 'Set file pyrazine.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 pyrazine.localized ]]
++ [[ ! -d pyrazine.localized ]]
++ _require_first_argument determinants n_states 1
++ [[ -z determinants ]]
++ return 0
++ _require_second_argument determinants n_states 1
++ [[ -z n_states ]]
++ [[ -z 1 ]]
++ echo 1
++ _ezfio_py set determinants n_states
++ 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 pyrazine.localized ]]
++ [[ ! -d pyrazine.localized ]]
++ _require_first_argument determinants read_wf False
++ [[ -z determinants ]]
++ return 0
++ _require_second_argument determinants read_wf False
++ [[ -z read_wf ]]
++ [[ -z False ]]
++ _ezfio_py set determinants read_wf
++ echo False
++ 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 pyrazine.localized ]]
++ [[ ! -d pyrazine.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 pyrazine.localized ]]
++ [[ ! -d pyrazine.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_$@' pyrazine.localized
+++ qp_run fci pyrazine.localized
+ 0.02 %  in                     1 seconds 
+                                                                           
50.00 %  in                    10 seconds 
+                                                                           
\ No newline at end of file