From 52b5283fe6813b955b15440370e85635439108aa Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed, 19 Sep 2018 09:25:32 +0200
Subject: [PATCH] Minor changes

---
 plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f | 3 ++-
 plugins/Full_CI_ZMQ/zmq_selection.irp.f      | 6 +++---
 src/Determinants/density_matrix.irp.f        | 2 +-
 3 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
index aba1e587..f3c8d835 100644
--- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
+++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
@@ -16,6 +16,7 @@ END_PROVIDER
   integer :: e
   e = elec_num - n_core_orb * 2
   pt2_n_tasks_max = 1+min((e*(e-1))/2, int(dsqrt(dble(N_det_generators)))/10)
+  pt2_n_tasks_max = 1
   do i=1,N_det_generators
     if (maxval(dabs(psi_coef_sorted_gen(i,1:N_states))) > 0.001d0) then
       pt2_F(i) = pt2_n_tasks_max
@@ -178,7 +179,7 @@ subroutine ZMQ_pt2(E, pt2,relative_error, error)
         do j=1,pt2_F(pt2_J(i))
           write(task(ipos:ipos+20),'(I9,1X,I9,''|'')') j, pt2_J(i)
           ipos += 20
-          if (ipos > len(task)-20) then
+          if (ipos > 100000-20) then
             if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
               stop 'Unable to add task to task server'
             endif
diff --git a/plugins/Full_CI_ZMQ/zmq_selection.irp.f b/plugins/Full_CI_ZMQ/zmq_selection.irp.f
index 397bee82..d21d0a27 100644
--- a/plugins/Full_CI_ZMQ/zmq_selection.irp.f
+++ b/plugins/Full_CI_ZMQ/zmq_selection.irp.f
@@ -52,16 +52,16 @@ subroutine ZMQ_selection(N_in, pt2)
   endif
 
   integer, external :: add_task_to_taskserver
-  character(len=64000)           :: task
+  character(len=100000)           :: task
   integer :: j,k,ipos
   ipos=1
   task = ' ' 
 
-  do i= 1, N_det_generators
+ do i= 1, N_det_generators
     do j=1,pt2_F(pt2_J(i))
       write(task(ipos:ipos+30),'(I9,1X,I9,1X,I9,''|'')') j, pt2_J(i), N
       ipos += 30
-      if (ipos > 63970) then
+      if (ipos > 100000-30) then
         if (add_task_to_taskserver(zmq_to_qp_run_socket,trim(task(1:ipos))) == -1) then
           stop 'Unable to add task to task server'
         endif
diff --git a/src/Determinants/density_matrix.irp.f b/src/Determinants/density_matrix.irp.f
index c7afebc6..0511b455 100644
--- a/src/Determinants/density_matrix.irp.f
+++ b/src/Determinants/density_matrix.irp.f
@@ -398,7 +398,7 @@ BEGIN_PROVIDER [ double precision, c0_weight, (N_states) ]
  do i=1,N_states
    c0_weight(i) = 1.d-31
    c = maxval(psi_coef(:,i) * psi_coef(:,i))
-   c0_weight(i) = 1.d0/c
+   c0_weight(i) = 1.d0/(c+1.d-20)
    c0_weight(i) = min(c0_weight(i), 100.d0)
  enddo
  if (mpi_master) then