removed space, added old as comment Signed-off-by: James Brown <james…

…[email protected]> Signed-off-by: James H. Brown <[email protected]>
grimme-lab · Jun 11, 2024 · a6aeb3f · a6aeb3f
1 parent eccadcd
commit a6aeb3f
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/gfnff/gfnff_eg.f90 b/src/gfnff/gfnff_eg.f90
@@ -4039,9 +4039,9 @@ function get_cf(rTrans,gTrans,vol,avgAlp) result(cf)
   integer, parameter :: ewaldCutD(3) = 2
   integer, parameter :: ewaldCutR(3) = 2
   ! real space lattice vectors
-  real(wp), intent(in) :: rTrans( 3, 125)
+  real(wp), intent(in) :: rTrans(3, 125)  !previously rTrans(3, product(2*ewaldCutD + 1))
   ! reciprocal space lattice vectors
-  real(wp), intent(in) :: gTrans(3, 124)
+  real(wp), intent(in) :: gTrans(3, 124)  !previously gTrans(3, product(2*ewaldCutR + 1) - 1)
   ! unit cell volume 
   real(wp), intent(in) :: vol
   ! average alphaEEQ value