Some FORTRAN sources are modified so that it can be compiled by newer version of...

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@632 a2be9bc6-48de-4e38-9406-05402d4bc13c

diff --git a/amber11/src/sqm/qm2_allocate_e_repul.f b/amber11/src/sqm/qm2_allocate_e_repul.f
index ffe8cc4..13ef1e2 100644 (file)
--- a/amber11/src/sqm/qm2_allocate_e_repul.f
+++ b/amber11/src/sqm/qm2_allocate_e_repul.f
@@ -22,7 +22,7 @@ subroutine qm2_allocate_qmqm_e_repul(n2el)
   integer :: ier=0
 
   allocate ( qm2_struct%qm_qm_2e_repul(n2el), stat=ier ) 
-  REQUIRE ( ier == 0 )
+  REQUIRE( ier == 0 )
 
   if (qmmm_nml%qmqm_erep_incore) then
      !only need the QM-QM electron repulsion integrals stored if we
@@ -38,7 +38,7 @@ subroutine qm2_allocate_qmqm_e_repul(n2el)
      allocate ( qm2_struct%qm_qm_e_repul(22, &
               (qmmm_struct%nquant_nlink * (qmmm_struct%nquant_nlink-1)/2)), stat=ier )
 #endif
-     REQUIRE ( ier == 0 )
+     REQUIRE( ier == 0 )
   end if
   return
 end subroutine qm2_allocate_qmqm_e_repul

diff --git a/amber11/src/sqm/qm2_load_params_and_allocate.f b/amber11/src/sqm/qm2_load_params_and_allocate.f
index 7ee6b59..d4cea3d 100644 (file)
--- a/amber11/src/sqm/qm2_load_params_and_allocate.f
+++ b/amber11/src/sqm/qm2_load_params_and_allocate.f
@@ -238,45 +238,45 @@ subroutine qm2_load_params_and_allocate()
 
       qm2_struct%matsize = ishft(qm2_struct%norbs*(qm2_struct%norbs+1),-1) !ishift(x,-1) = integer divide by 2
       allocate ( qm2_struct%den_matrix(qm2_struct%matsize), stat=ier )
-      REQUIRE ( ier == 0 )
+      REQUIRE( ier == 0 )
       allocate ( qm2_struct%old_den_matrix(qm2_struct%matsize), stat=ier )
-      REQUIRE ( ier == 0 )
+      REQUIRE( ier == 0 )
       !zero the entire density matrix on the first call
       qm2_struct%den_matrix = 0.0d0; qm2_struct%old_den_matrix = 0.0d0;
 
       allocate ( qm2_struct%old2_density(qm2_struct%norbs), stat=ier )
-      REQUIRE ( ier == 0 ) !Used by qm2_cnvg as workspace.
+      REQUIRE( ier == 0 ) !Used by qm2_cnvg as workspace.
 
       if (qmmm_nml%density_predict == 1) then
         !We are using Niklasson et al. density matrix prediction.
         allocate ( qm2_struct%md_den_mat_guess1(qm2_struct%matsize), stat=ier )
-        REQUIRE ( ier == 0 )
+        REQUIRE( ier == 0 )
         allocate ( qm2_struct%md_den_mat_guess2(qm2_struct%matsize), stat=ier )
-        REQUIRE ( ier == 0 )
+        REQUIRE( ier == 0 )
       end if
 
       if (qmmm_nml%fock_predict == 1) then
         !We are using Pulay et al. Fock matrix prediction.
         allocate ( qm2_struct%fock_mat_final1(qm2_struct%matsize), stat=ier )
-        REQUIRE ( ier == 0 )
+        REQUIRE( ier == 0 )
         allocate ( qm2_struct%fock_mat_final2(qm2_struct%matsize), stat=ier )
-        REQUIRE ( ier == 0 )
+        REQUIRE( ier == 0 )
         allocate ( qm2_struct%fock_mat_final3(qm2_struct%matsize), stat=ier )
-        REQUIRE ( ier == 0 )
+        REQUIRE( ier == 0 )
         allocate ( qm2_struct%fock_mat_final4(qm2_struct%matsize), stat=ier )
-        REQUIRE ( ier == 0 )
+        REQUIRE( ier == 0 )
       end if
 
       allocate ( qm2_struct%fock_matrix(qm2_struct%matsize), stat=ier )
-      REQUIRE ( ier == 0 )
+      REQUIRE( ier == 0 )
       allocate ( qm2_struct%hmatrix(qm2_struct%matsize), stat=ier )
-      REQUIRE ( ier == 0 )
+      REQUIRE( ier == 0 )
 #ifdef MPI
 # ifndef USE_MPI_IN_PLACE
       !Allocate a temporary array for doing the reduce of P and F etc. Only needed if
       !we can't do things using MPI_IN_PLACE
       allocate ( qmmm_scratch%matsize_red_scratch(qm2_struct%matsize), stat=ier )
-      REQUIRE ( ier == 0 )
+      REQUIRE( ier == 0 )
 # endif
 #endif
       allocate (qm2_struct%fock2_ptot2(16,qmmm_struct%nquant_nlink),stat=ier)