xd0

for-tests/test_meson_fortran/main.f90

@@ -31,23 +31,23 @@ program test_libcint
 
   env = [&
     ! twenty zeros
-    .0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0,.0, &
+    .0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0,.0d0, &
     ! positions
-    .0,.0,0.226017, &
-    .0,1.439618, -0.904064, &
-    .0,-1.439618, -0.904064, &
+    .0d0,.0d0,0.226017d0, &
+    .0d0,1.439618d0, -0.904064d0, &
+    .0d0,-1.439618d0, -0.904064d0, &
     ! exponents:
-    130.709320,23.808861,6.443608,5.033151,1.169596,0.380389, &
-    130.709320,23.808861,6.443608,5.033151,1.169596,0.380389, &
-    5.033151,1.169596,0.380389, &
-    3.425251,0.623914,0.168855, &
-    3.425251,0.623914,0.168855, &
+    130.709320d0,23.808861d0,6.443608d0,5.033151d0,1.169596d0,0.380389d0, &
+    130.709320d0,23.808861d0,6.443608d0,5.033151d0,1.169596d0,0.380389d0, &
+    5.033151d0,1.169596d0,0.380389d0, &
+    3.425251d0,0.623914d0,0.168855d0, &
+    3.425251d0,0.623914d0,0.168855d0, &
     ! coefs:
-    15.072747,14.577702,4.543234,.0,.0,.0, &
-    .0,.0,.0,-0.848697,1.135201,0.856753, &
-    3.429066,2.156289,0.341592, &
-    0.981707,0.949464,0.295906, &
-    0.981707,0.949464,0.295906 &
+    15.072747d0,14.577702d0,4.543234d0,.0d0,.0d0,.0d0, &
+    .0d0,.0d0,.0d0,-0.848697d0,1.135201d0,0.856753d0, &
+    3.429066d0,2.156289d0,0.341592d0, &
+    0.981707d0,0.949464d0,0.295906d0, &
+    0.981707d0,0.949464d0,0.295906d0 &
   ]
 
   do ibas=1, nbas
@@ -56,7 +56,7 @@ program test_libcint
       sj = CINTcgto_cart(jbas-1, bas)
       print '(a,i0,a,i0,a,i0,a,i0,a)', "ibas=", ibas - 1, " (N=", si, "), jbas=", jbas - 1, " (N=", sj, ")"
       shells = [ibas - 1, jbas - 1]
-      call cint1e_ovlp_cart(buff, shells, atm, natm,bas, nbas, env)
+      call cint1e_ovlp_cart(buff, shells, atm, natm, bas, nbas, env)
       do ielm=1, si
         print '(*(f8.5))', abs(buff(1 + (ielm-1) * si:(ielm-1) * si + min(ielm, sj)))
       enddo