Merge branch 'develop'

environ-developers · Nov 1, 2021 · ec1b8cd · ec1b8cd
2 parents d3b69ac + b0c3e2c
commit ec1b8cd
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Showing 2 changed files with 8 additions and 2 deletions.
diff --git a/src/environment.f90 b/src/environment.f90
@@ -944,24 +944,29 @@ END SUBROUTINE environ_init_physical
     !! Called by electrons.f90
     !!
     !------------------------------------------------------------------------------------
-    SUBROUTINE print_environ_energies(this, prog)
+    SUBROUTINE print_environ_energies(this, prog, de_flag)
         !--------------------------------------------------------------------------------
         !
         IMPLICIT NONE
         !
         CHARACTER(LEN=2), INTENT(IN) :: prog
+        LOGICAL, INTENT(IN), OPTIONAL :: de_flag
         !
         CLASS(environ_obj), TARGET, INTENT(INOUT) :: this
         !
         INTEGER, POINTER :: unit
         TYPE(environ_setup), POINTER :: setup
         !
+        LOGICAL :: print_de = .TRUE.
+        !
         CHARACTER(LEN=80) :: sub_name = 'print_environ_energies'
         !
         !--------------------------------------------------------------------------------
         !
         IF (.NOT. io%lnode) RETURN
         !
+        IF (PRESENT(de_flag)) print_de = de_flag
+        !
         unit => io%unit
         setup => this%setup
         !
@@ -979,7 +984,7 @@ SUBROUTINE print_environ_energies(this, prog)
             !
             IF (setup%lelectrolyte) WRITE (unit, 1004) this%eelectrolyte
             !
-            WRITE (unit, 1005) this%deenviron
+            IF (print_de) WRITE (unit, 1005) this%deenviron
             !
         CASE ('CP') ! converted to Hartree
             !

diff --git a/src/setup.f90 b/src/setup.f90
@@ -267,6 +267,7 @@ SUBROUTINE init_environ_setup(this)
             OPEN (unit=io%debug_unit, file='environ.debug', status='unknown')
             !
         END IF
+        !
         !--------------------------------------------------------------------------------
         !
         CALL this%set_flags()
-Original file line number
+Diff line change
@@ Expand Up / @@ -267,6 +267,7 @@ SUBROUTINE init_environ_setup(this) @@
                 OPEN (unit=io%debug_unit, file='environ.debug', status='unknown')
                 !
             END IF
+            !
             !--------------------------------------------------------------------------------
             !
             CALL this%set_flags()
@@ Expand Down @@