Use mathconstants

cp2k · Aug 15, 2020 · aabaabd · aabaabd
1 parent 91d7f76
commit aabaabd
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Showing 2 changed files with 10 additions and 9 deletions.
diff --git a/src/common/mathconstants.F b/src/common/mathconstants.F
@@ -138,7 +138,7 @@ MODULE mathconstants
                                radians = one/degree ! degree  -> radians
 
    COMPLEX(KIND=dp), PARAMETER :: gaussi = (0.0_dp, 1.0_dp) ! i = SQRT(-1)
-   COMPLEX(kind=dp), PARAMETER :: z_mone = (-1.0_dp, 0.0_dp), &
+   COMPLEX(KIND=dp), PARAMETER :: z_mone = (-1.0_dp, 0.0_dp), &
                                   z_one = (1.0_dp, 0.0_dp), &
                                   z_zero = (0.0_dp, 0.0_dp)
 

diff --git a/src/pw/fast.F b/src/pw/fast.F
@@ -6,6 +6,9 @@
 MODULE fast
 
    USE kinds,                           ONLY: dp
+   USE mathconstants,                   ONLY: z_one,&
+                                              z_zero,&
+                                              zero
 
    IMPLICIT NONE
 
@@ -43,16 +46,14 @@ SUBROUTINE rankup(n, za, cmat, zb, ex, ey, ez, scr)
       COMPLEX(KIND=dp), DIMENSION(:), INTENT(IN)         :: ex, ey, ez
       COMPLEX(KIND=dp), DIMENSION(:), INTENT(INOUT)      :: scr
 
-      COMPLEX(KIND=dp)                                   :: cone
       INTEGER                                            :: n2, n3
 
-      cone = CMPLX(1._dp, KIND=dp)
       n2 = n(1)*n(2)
       n3 = n2*n(3)
-      scr(1:n2) = CMPLX(0._dp, KIND=dp)
+      scr(1:n2) = z_zero
       CALL zgeru(n(1), n(2), zb, ex, 1, ey, 1, scr, n(1))
       CALL zscal(n3, za, cmat, 1)
-      CALL zgeru(n2, n(3), cone, scr, 1, ez, 1, cmat, n2)
+      CALL zgeru(n2, n(3), z_one, scr, 1, ez, 1, cmat, n2)
 
    END SUBROUTINE rankup
 
@@ -89,7 +90,7 @@ SUBROUTINE vr_x_vc(rvec, cvec)
       COMPLEX(KIND=dp), INTENT(INOUT)                    :: cvec(:, :, :)
 
 !$OMP PARALLEL WORKSHARE DEFAULT(NONE), SHARED(cvec,rvec)
-      cvec(:, :, :) = cvec(:, :, :)*rvec(:, :, :)
+      cvec(:, :, :) = cvec(:, :, :)*CMPLX(rvec(:, :, :), KIND=dp)
 !$OMP END PARALLEL WORKSHARE
 
    END SUBROUTINE vr_x_vc
@@ -149,7 +150,7 @@ SUBROUTINE copy_rc(r1, z)
       COMPLEX(KIND=dp), INTENT(INOUT)                    :: z(:, :, :)
 
 !$OMP PARALLEL WORKSHARE DEFAULT(NONE), SHARED(r1,z)
-      z(:, :, :) = CMPLX(r1(:, :, :), 0.0_dp, KIND=dp)
+      z(:, :, :) = CMPLX(r1(:, :, :), zero, KIND=dp)
 !$OMP END PARALLEL WORKSHARE
 
    END SUBROUTINE copy_rc
@@ -166,7 +167,7 @@ SUBROUTINE zero_c2(z)
       COMPLEX(KIND=dp), INTENT(INOUT)                    :: z(:, :)
 
 !$OMP PARALLEL WORKSHARE DEFAULT(NONE), SHARED(z)
-      z(:, :) = 0.0_dp
+      z(:, :) = z_zero
 !$OMP END PARALLEL WORKSHARE
    END SUBROUTINE zero_c2
 
@@ -182,7 +183,7 @@ SUBROUTINE zero_c3(z)
       COMPLEX(KIND=dp), INTENT(INOUT)                    :: z(:, :, :)
 
 !$OMP PARALLEL WORKSHARE DEFAULT(NONE), SHARED(z)
-      z(:, :, :) = 0.0_dp
+      z(:, :, :) = z_zero
 !$OMP END PARALLEL WORKSHARE
 
    END SUBROUTINE zero_c3