build.ninja in ocaml

ocaml/_tags

@@ -1,6 +0,0 @@
-true: package(core,sexplib.syntax,cryptokit,str,ZMQ)
-true: thread
-true:rpath
-#true: static
-
-

scripts/compile_irpf90.sh

@@ -29,7 +29,7 @@ then
   LIB="${LIB} ${QMCCHEM_PATH}/lib/libezfio_irp.a ${QMCCHEM_PATH}/lib/libf77zmq.a ${QMCCHEM_PATH}/lib/libzmq.a -lstdc++ -lrt"
   SRC="${SRC} ZMQ/f77_zmq_module.f90" 
   OBJ="${OBJ} IRPF90_temp/ZMQ/f77_zmq_module.o"
-  INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I TESTING -I MAIN -I PROPERTIES -I ZMQ"
+  INCLUDES="${INCLUDES} -I AO -I SAMPLING -I TOOLS -I JASTROW -I MAIN -I PROPERTIES -I ZMQ"
   IRPF90_FLAGS="${IRPF90_FLAGS} --ninja"
 
   # Check IRPF90 version

src/det.irp.f

@@ -853,9 +853,8 @@ END_PROVIDER
     
   ! Avoid NaN
   if (ddet /= 0.d0) then
-    n_updated_det += 1.d0
+    continue
   else
-    n_inverted_det += 1.d0
     do j=1,mo_closed_num
       !DIR$ VECTOR ALIGNED
       !DIR$ LOOP COUNT(100)
@@ -964,9 +963,8 @@ END_PROVIDER
   
   ! Avoid NaN
   if (ddet /= 0.d0) then
-    n_updated_det += 1.d0
+    continue
   else
-    n_inverted_det += 1.d0
     do j=1,mo_closed_num
       !DIR$ VECTOR UNALIGNED
       !DIR$ LOOP COUNT (100)