updates from master to deal with super heavy elements

QA/doqmtests.mpi

@@ -625,15 +625,8 @@ let "myexit+=$?"
 let "myexit+=$?"
 ./runtests.mpi.unix procs $np back_to_atguess
 let "myexit+=$?"
-# superheavy elements check
-source ./qa_funcs.sh
-strings -a $(get_nwchem_executable) |grep Tennessine >& /dev/null
-exit_code=$?
-if [[ $exit_code == 0 ]]; then
-    echo NWChem code ready for superheavy elements
-    ./runtests.mpi.unix procs $np dft_tennessine
-    let "myexit+=$?"
-fi
+./runtests.mpi.unix procs $np dft_tennessine
+let "myexit+=$?"
 #
 ./runtests.mpi.unix procs $np ccsdt_ompt_w3pvdz
 let "myexit+=$?"

QA/tests/dft_tennessine/dft_tennessine.nw

@@ -0,0 +1,104 @@
+echo
+
+start
+
+title "Tenessine"
+charge 0
+geometry 
+Ts        0. 0. 0.
+symmetry c2v
+end
+
+relativistic
+   DOUGLAS-KROLL DKH
+end
+
+# Ts dyall.v2z decontr 26s23p17d10f
+basis spherical
+ Ts S; 5.25589660E+07 1.0
+ Ts S; 1.39622807E+07 1.0
+ Ts S; 4.73580777E+06 1.0
+ Ts S; 1.77055155E+06 1.0
+ Ts S; 7.21438834E+05 1.0
+ Ts S; 3.08728868E+05 1.0
+ Ts S; 1.37769819E+05 1.0
+ Ts S; 6.31102557E+04 1.0
+ Ts S; 2.95481902E+04 1.0
+ Ts S; 1.40571584E+04 1.0
+ Ts S; 6.78665037E+03 1.0
+ Ts S; 3.32284017E+03 1.0
+ Ts S; 1.65532803E+03 1.0
+ Ts S; 8.34251093E+02 1.0
+ Ts S; 4.31714084E+02 1.0
+ Ts S; 2.28450220E+02 1.0
+ Ts S; 1.23329160E+02 1.0
+ Ts S; 6.77383376E+01 1.0
+ Ts S; 3.44769397E+01 1.0
+ Ts S; 1.96687234E+01 1.0
+ Ts S; 9.71913239E+00 1.0
+ Ts S; 5.35865868E+00 1.0
+ Ts S; 2.24658072E+00 1.0
+ Ts S; 1.14580781E+00 1.0
+ Ts S; 3.79419796E-01 1.0
+ Ts S; 1.45755955E-01 1.0
+ Ts P; 4.50079474E+07 1.0
+ Ts P; 1.25887001E+07 1.0
+ Ts P; 3.82527515E+06 1.0
+ Ts P; 1.24107592E+06 1.0
+ Ts P; 4.23497767E+05 1.0
+ Ts P; 1.50750108E+05 1.0
+ Ts P; 5.57553472E+04 1.0
+ Ts P; 2.14132811E+04 1.0
+ Ts P; 8.56301977E+03 1.0
+ Ts P; 3.57984955E+03 1.0
+ Ts P; 1.56686094E+03 1.0
+ Ts P; 7.16151398E+02 1.0
+ Ts P; 3.39848795E+02 1.0
+ Ts P; 1.64014961E+02 1.0
+ Ts P; 8.22626489E+01 1.0
+ Ts P; 4.02034342E+01 1.0
+ Ts P; 2.08756913E+01 1.0
+ Ts P; 9.96460376E+00 1.0
+ Ts P; 5.01432190E+00 1.0
+ Ts P; 2.11448402E+00 1.0
+ Ts P; 9.40561230E-01 1.0
+ Ts P; 2.93186959E-01 1.0
+ Ts P; 8.92968449E-02 1.0
+ Ts D; 8.83574648E+04 1.0
+ Ts D; 2.05729720E+04 1.0
+ Ts D; 6.58130697E+03 1.0
+ Ts D; 2.52237884E+03 1.0
+ Ts D; 1.08894908E+03 1.0
+ Ts D; 5.10258847E+02 1.0
+ Ts D; 2.53088086E+02 1.0
+ Ts D; 1.30617020E+02 1.0
+ Ts D; 6.88645118E+01 1.0
+ Ts D; 3.63215132E+01 1.0
+ Ts D; 1.95080977E+01 1.0
+ Ts D; 1.02633964E+01 1.0
+ Ts D; 5.29989718E+00 1.0
+ Ts D; 2.64229268E+00 1.0
+ Ts D; 1.24755275E+00 1.0
+ Ts D; 5.46674430E-01 1.0
+ Ts D; 2.07169726E-01 1.0
+ Ts F; 1.55874574E+03 1.0
+ Ts F; 5.16482517E+02 1.0
+ Ts F; 2.16090441E+02 1.0
+ Ts F; 1.00375884E+02 1.0
+ Ts F; 4.91918626E+01 1.0
+ Ts F; 2.47415547E+01 1.0
+ Ts F; 1.24172009E+01 1.0
+ Ts F; 6.07887380E+00 1.0
+ Ts F; 2.84454763E+00 1.0
+ Ts F; 1.19184727E+00 1.0
+end
+
+dft
+  mult 2
+  direct
+end
+
+#set int:cando_nw f
+#set int:cando_txs f
+
+task dft