SSH_AUTH_SOCK=/run/user/1000/keyring/ssh
CUDA_PATH=/opt/cuda
LMOD_PKG=/usr/share/lmod/lmod
LC_TELEPHONE=en_US.UTF-8
GDMSESSION=xfce
DESKTOP_SESSION=xfce
PWD=/home/amandad/software/qp2
WINDOWID=109051907
GTK3_MODULES=xapp-gtk3-module:xapp-gtk3-module
LOGNAME=amandad
PANEL_GDK_CORE_DEVICE_EVENTS=0
EDITOR=/usr/bin/nano
MAIL=/var/spool/mail/amandad
LC_MEASUREMENT=en_US.UTF-8
XDG_SESSION_TYPE=x11
PATH=/home/amandad/software/qp2/external/opam/4.07.1/bin::/home/amandad/software/qp2/external/ezfio/Python:/home/amandad/software/qp2/scripts:/home/amandad/software/qp2/scripts/ezfio_interface:/home/amandad/software/qp2/scripts/utility:/home/amandad/software/qp2/scripts/module:/home/amandad/software/qp2/scripts/compilation:/home/amandad/software/qp2/external/Python:/home/amandad/software/qp2/external/Python/resultsFile:/home/amandad/software/qp2/bin:/home/amandad/software/qp2/ocaml::/home/amandad/software/qp2/external/ezfio/Python:/home/amandad/software/qp2/scripts:/home/amandad/software/qp2/scripts/ezfio_interface:/home/amandad/software/qp2/scripts/utility:/home/amandad/software/qp2/scripts/module:/home/amandad/software/qp2/scripts/compilation:/home/amandad/software/qp2/external/Python:/home/amandad/software/qp2/external/Python/resultsFile:/home/amandad/software/qp2/bin:/home/amandad/software/qp2/ocaml::/home/amandad/software/qp2/external/ezfio/Python:/home/amandad/software/qp2/scripts:/home/amandad/software/qp2/scripts/ezfio_interface:/home/amandad/software/qp2/scripts/utility:/home/amandad/software/qp2/scripts/module:/home/amandad/software/qp2/scripts/compilation:/home/amandad/software/qp2/external/Python:/home/amandad/software/qp2/external/Python/resultsFile:/home/amandad/software/qp2/bin:/home/amandad/software/qp2/ocaml:/home/amandad/software/qp2/external/ocaml-bundle/bootstrap/bin:/home/amandad/software/qp2/external/ocaml-bundle/bootstrap/bin:/opt/intel/compilers_and_libraries_2020.4.304/linux/bin/intel64:/opt/intel/compilers_and_libraries_2020.4.304/linux/bin:/home/amandad/.local/bin:/usr/local/bin:/usr/bin:/bin:/usr/local/sbin:/opt/cuda/bin:/opt/cuda/nsight_compute:/opt/cuda/nsight_systems/bin:/opt/intel/bin:/usr/lib/jvm/default/bin:/usr/bin/site_perl:/usr/bin/vendor_perl:/usr/bin/core_perl:/var/lib/snapd/snap/bin:/home/amandad/.fzf/bin:/home/amandad/software/orbkit/tools:/home/amandad/software/qp2/external/irpf90/bin:/home/amandad/software/qp2/external/irpf90/bin:/home/amandad/software/qp2/external/irpf90/bin:/home/amandad/software/qp2/external/irpf90/bin:/home/amandad/software/qp2/external/irpf90/bin:/home/amandad/software/qp2/external/irpf90/bin
HOME=/home/amandad
LMOD_CMD=/usr/share/lmod/lmod/libexec/lmod
NLSPATH=/opt/intel/compilers_and_libraries_2020.4.304/linux/compiler/lib/intel64/locale/%l_%t/%N
QT_AUTO_SCREEN_SCALE_FACTOR=0
MKLROOT=/opt/intel/mkl
DISPLAY=:0.0
USER=amandad
MOTD_SHOWN=pam
LANG=en_US.utf8
LMOD_DIR=/usr/share/lmod/lmod/libexec/
LC_NAME=en_US.UTF-8
LC_PAPER=en_US.UTF-8
INTEL_LICENSE_FILE=/opt/intel/licenses
XAUTHORITY=/home/amandad/.Xauthority
SHLVL=1
SESSION_MANAGER=local/amanda-desktop:@/tmp/.ICE-unix/1825,unix/amanda-desktop:/tmp/.ICE-unix/1825,inet6/amanda-desktop:37509,inet/amanda-desktop:34265
XDG_SESSION_ID=2
XDG_RUNTIME_DIR=/run/user/1000
XDG_SESSION_DESKTOP=xfce
XDG_DATA_DIRS=/home/amandad/.local/share/flatpak/exports/share:/var/lib/flatpak/exports/share:/usr/local/share:/usr/share:/var/lib/snapd/desktop:/usr/share
VTE_VERSION=6600
XDG_CURRENT_DESKTOP=XFCE
GDM_LANG=en_US.utf8
MODULEPATH_ROOT=/usr/share/modulefiles
XDG_SESSION_PATH=/org/freedesktop/DisplayManager/Session0
MODULEPATH=/usr/share/modulefiles/Linux:/usr/share/modulefiles/Core:/usr/share/lmod/lmod/modulefiles/Core
XDG_CONFIG_DIRS=/etc/xdg
XDG_GREETER_DATA_DIR=/var/lib/lightdm-data/amandad
LC_ADDRESS=en_US.UTF-8
SHELL=/usr/bin/zsh
LMOD_sys=Linux
XDG_SESSION_CLASS=user
MOZ_PLUGIN_PATH=/usr/lib/mozilla/plugins
LC_IDENTIFICATION=en_US.UTF-8
GTK_MODULES=canberra-gtk-module:canberra-gtk-module
DBUS_SESSION_BUS_ADDRESS=unix:path=/run/user/1000/bus
XDG_VTNR=7
LC_NUMERIC=en_US.UTF-8
QT_QPA_PLATFORMTHEME=qt5ct
TERM=xterm-256color
XDG_MENU_PREFIX=xfce-
MODULESHOME=/usr/share/lmod/lmod
COLORTERM=truecolor
LC_TIME=en_US.UTF-8
XDG_SEAT_PATH=/org/freedesktop/DisplayManager/Seat0
GTK2_RC_FILES=/home/amandad/.gtkrc-2.0
BASH_ENV=/usr/share/lmod/lmod/init/bash
LC_MONETARY=en_US.UTF-8
XDG_SEAT=seat0
OLDPWD=/home/amandad/software/qp2/external
ZSH=/home/amandad/.oh-my-zsh
PAGER=less
LESS=-R
LSCOLORS=Gxfxcxdxbxegedabagacad
LS_COLORS=rs=0:di=01;34:ln=01;36:mh=00:pi=40;33:so=01;35:do=01;35:bd=40;33;01:cd=40;33;01:or=40;31;01:mi=00:su=37;41:sg=30;43:ca=30;41:tw=30;42:ow=34;42:st=37;44:ex=01;32:*.tar=01;31:*.tgz=01;31:*.arc=01;31:*.arj=01;31:*.taz=01;31:*.lha=01;31:*.lz4=01;31:*.lzh=01;31:*.lzma=01;31:*.tlz=01;31:*.txz=01;31:*.tzo=01;31:*.t7z=01;31:*.zip=01;31:*.z=01;31:*.dz=01;31:*.gz=01;31:*.lrz=01;31:*.lz=01;31:*.lzo=01;31:*.xz=01;31:*.zst=01;31:*.tzst=01;31:*.bz2=01;31:*.bz=01;31:*.tbz=01;31:*.tbz2=01;31:*.tz=01;31:*.deb=01;31:*.rpm=01;31:*.jar=01;31:*.war=01;31:*.ear=01;31:*.sar=01;31:*.rar=01;31:*.alz=01;31:*.ace=01;31:*.zoo=01;31:*.cpio=01;31:*.7z=01;31:*.rz=01;31:*.cab=01;31:*.wim=01;31:*.swm=01;31:*.dwm=01;31:*.esd=01;31:*.jpg=01;35:*.jpeg=01;35:*.mjpg=01;35:*.mjpeg=01;35:*.gif=01;35:*.bmp=01;35:*.pbm=01;35:*.pgm=01;35:*.ppm=01;35:*.tga=01;35:*.xbm=01;35:*.xpm=01;35:*.tif=01;35:*.tiff=01;35:*.png=01;35:*.svg=01;35:*.svgz=01;35:*.mng=01;35:*.pcx=01;35:*.mov=01;35:*.mpg=01;35:*.mpeg=01;35:*.m2v=01;35:*.mkv=01;35:*.webm=01;35:*.webp=01;35:*.ogm=01;35:*.mp4=01;35:*.m4v=01;35:*.mp4v=01;35:*.vob=01;35:*.qt=01;35:*.nuv=01;35:*.wmv=01;35:*.asf=01;35:*.rm=01;35:*.rmvb=01;35:*.flc=01;35:*.avi=01;35:*.fli=01;35:*.flv=01;35:*.gl=01;35:*.dl=01;35:*.xcf=01;35:*.xwd=01;35:*.yuv=01;35:*.cgm=01;35:*.emf=01;35:*.ogv=01;35:*.ogx=01;35:*.aac=00;36:*.au=00;36:*.flac=00;36:*.m4a=00;36:*.mid=00;36:*.midi=00;36:*.mka=00;36:*.mp3=00;36:*.mpc=00;36:*.ogg=00;36:*.ra=00;36:*.wav=00;36:*.oga=00;36:*.opus=00;36:*.spx=00;36:*.xspf=00;36:
PYTHONPATH=/home/amandad/software/qp2/external/ezfio/Python::/home/amandad/software/qp2/external/ezfio/Python:/home/amandad/software/qp2/scripts:/home/amandad/software/qp2/scripts/ezfio_interface:/home/amandad/software/qp2/scripts/utility:/home/amandad/software/qp2/scripts/module:/home/amandad/software/qp2/scripts/compilation:/home/amandad/software/qp2/external/Python:/home/amandad/software/qp2/external/Python/resultsFile:/home/amandad/software/qp2/external/ezfio/Python::/home/amandad/software/qp2/external/ezfio/Python:/home/amandad/software/qp2/scripts:/home/amandad/software/qp2/scripts/ezfio_interface:/home/amandad/software/qp2/scripts/utility:/home/amandad/software/qp2/scripts/module:/home/amandad/software/qp2/scripts/compilation:/home/amandad/software/qp2/external/Python:/home/amandad/software/qp2/external/Python/resultsFile:/home/amandad/software/qp2/external/ezfio/Python::/home/amandad/software/qp2/external/ezfio/Python:/home/amandad/software/qp2/scripts:/home/amandad/software/qp2/scripts/ezfio_interface:/home/amandad/software/qp2/scripts/utility:/home/amandad/software/qp2/scripts/module:/home/amandad/software/qp2/scripts/compilation:/home/amandad/software/qp2/external/Python:/home/amandad/software/qp2/external/Python/resultsFile::/home/amandad/Documents/research/dl_research/project/fragments/molfrag/molfrag:/home/amandad/Documents/software/helper_scripts/python_utils:/home/amandad/software/qmcpack/src/QMCTools/:/home/amandad/software/orbkit:/home/amandad/software/pyscf
MATPLOTLIBRC=/home/amandad/Documents/software/helper_scripts/python_utils/matplotlibrc
KMP_STACKSIZE=1500000000
Multiwfnpath=/home/amandad/software/Multiwfn_3.7_dev_bin_Linux
ORBKITPATH=/home/amandad/software/orbkit
PYSCFPATH=/home/amandad/software/pyscf
LD_PRELOAD=/opt/intel/mkl/lib/intel64_lin/libmkl_core.so:/opt/intel/mkl/lib/intel64_lin/libmkl_sequential.so
QP_ROOT=/home/amandad/software/qp2
CFLAGS= --std=gnu99 --std=gnu99 --std=gnu99
QP_EZFIO=/home/amandad/software/qp2/external/ezfio
IRPF90_PATH=/home/amandad/software/qp2/external/irpf90
IRPF90=/home/amandad/software/qp2/external/irpf90/bin/irpf90
OMP_NESTED=True
QP_PYTHON=:/home/amandad/software/qp2/external/ezfio/Python:/home/amandad/software/qp2/scripts:/home/amandad/software/qp2/scripts/ezfio_interface:/home/amandad/software/qp2/scripts/utility:/home/amandad/software/qp2/scripts/module:/home/amandad/software/qp2/scripts/compilation:/home/amandad/software/qp2/external/Python:/home/amandad/software/qp2/external/Python/resultsFile
LD_LIBRARY_PATH=/home/amandad/software/qp2/lib:/home/amandad/software/qp2/lib:/home/amandad/software/qp2/lib:
LIBRARY_PATH=/home/amandad/software/qp2/lib:/home/amandad/software/qp2/lib64:/home/amandad/software/qp2/lib:/home/amandad/software/qp2/lib64:/home/amandad/software/qp2/lib:/home/amandad/software/qp2/lib64:
PKG_CONFIG_PATH=/home/amandad/software/qp2/external/opam/4.07.1/lib/pkgconfig:/home/amandad/software/qp2/lib/pkgconfig:/home/amandad/software/qp2/lib/pkgconfig:/home/amandad/software/qp2/lib/pkgconfig:
C_INCLUDE_PATH=/home/amandad/software/qp2/include:/home/amandad/software/qp2/include:/home/amandad/software/qp2/include:
CPATH=/home/amandad/software/qp2/include:/home/amandad/software/qp2/include:/home/amandad/software/qp2/include:
OPAMROOT=/home/amandad/software/qp2/external/opam
OPAM_SWITCH_PREFIX=/home/amandad/software/qp2/external/opam/4.07.1
CAML_LD_LIBRARY_PATH=/home/amandad/software/qp2/external/opam/4.07.1/lib/stublibs:/home/amandad/software/qp2/external/opam/4.07.1/lib/ocaml/stublibs:/home/amandad/software/qp2/external/opam/4.07.1/lib/ocaml
OCAML_TOPLEVEL_PATH=/home/amandad/software/qp2/external/opam/4.07.1/lib/toplevel
MANPATH=:/home/amandad/software/qp2/external/opam/4.07.1/man
_=/usr/bin/env