loriab

diff --git a/psi4/driver/driver_nbody.py b/psi4/driver/driver_nbody.py
index b1c1b2eb5..a21767068 100644
--- a/psi4/driver/driver_nbody.py
+++ b/psi4/driver/driver_nbody.py
@@ -399,6 +399,7 @@ def build_nbody_compute_list(
     nbodies: List[Union[int, Literal["supersystem"]]],
     nfragments: int,
     return_total_data: bool,
+    supersystem_ie_only: bool,
     verbose: int = 1,

loriab

#docstring:
#  - dummy:                          # Item name required. <dummy> is replaced by the Psi4 internal label used for CMake (e.g., TODO FALSE ENABLE_<dummy>, external/upstream/<dummy>/CMakeLists.txt) and testing (e.g., @using('<dummy>')).
#      use: !!map                      # Section required. Important Psi4 dependency usage information.
#        added: !!str                    # Field required. Minor version at which <dummy> added to Psi4 ecosystem. v1.0 is earliest value.
#        deprecated: !!str               #                 Minor version at which <dummy> removed from Psi4 ecosystem. Further fields not present.
#        required: !!bool                # Field required. Whether <dummy> is a required Psi4 dependency.
#        buildable: !!bool               # Field required. If <dummy> is required or enabled, `true` if the Psi4 build system can supply it by building from source or `false` if it must be detectable pre-built.
#        buildtime: !!bool               # Field required. Whether <d

loriab

loriab

import re
import sys
#sys.path.append('/Users/loriab/linux/psihub/hrw-labfork/psi4/driver')
import itertools

import numpy as np

#import qcdb
#from qcdb.exceptions import *

loriab

github@mac-psinet:~/toolchainconda/conda-bld/llvm-suite_1507343700837/work$ cat ./llvm_tapi_build/CMakeFiles/CMakeError.log
Determining if the include file link.h exists failed with the following output:
Change Dir: /Users/github/toolchainconda/conda-bld/llvm-suite_1507343700837/work/llvm_tapi_build/CMakeFiles/CMakeTmp

Run Build Command:"/usr/bin/make" "cmTC_ad483/fast"
/Applications/Xcode.app/Contents/Developer/usr/bin/make -f CMakeFiles/cmTC_ad483.dir/build.make CMakeFiles/cmTC_ad483.dir/build
Building C object CMakeFiles/cmTC_ad483.dir/CheckIncludeFile.c.o
/Users/github/toolchainconda/conda-bld/llvm-suite_1507343700837/work/bootstrap/bin/clang   -I/Users/github/toolchainconda/conda-bld/llvm-suite_1507343700837/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_plac/include -mmacosx-version-min=10.9  -isysroot /Users/github/toolchainconda/conda-bld/llvm-suite_1507343700837

loriab

    -----------------------------------------------------------------------
          PSI4: An Open-Source Ab Initio Electronic Structure Package
                              PSI 4.0.0-beta3 Driver

               Git: Rev 234c0335e5e016f26806d422d91aa94f66fb89ef

    J. M. Turney, A. C. Simmonett, R. M. Parrish, E. G. Hohenstein,
    F. A. Evangelista, J. T. Fermann, B. J. Mintz, L. A. Burns, J. J. Wilke,
    M. L. Abrams, N. J. Russ, M. L. Leininger, C. L. Janssen, E. T. Seidl,
    W. D. Allen, H. F. Schaefer, R. A. King, E. F. Valeev, C. D. Sherrill,

loriab

    -----------------------------------------------------------------------
          PSI4: An Open-Source Ab Initio Electronic Structure Package
                              PSI 4.0.0-beta3 Driver

               Git: Rev 234c0335e5e016f26806d422d91aa94f66fb89ef

    J. M. Turney, A. C. Simmonett, R. M. Parrish, E. G. Hohenstein,
    F. A. Evangelista, J. T. Fermann, B. J. Mintz, L. A. Burns, J. J. Wilke,
    M. L. Abrams, N. J. Russ, M. L. Leininger, C. L. Janssen, E. T. Seidl,
    W. D. Allen, H. F. Schaefer, R. A. King, E. F. Valeev, C. D. Sherrill,