Integrated Jastrow Mu

ezfio_config/qmc.config

@@ -83,6 +83,7 @@ jastrow
   jast_a_up_dn        real
   jast_b_up_up        real
   jast_b_up_dn        real
+  mu_erf              real              
   jast_pen            real                (nuclei_nucl_num)
   jast_eeN_e_a        real                (nuclei_nucl_num)
   jast_eeN_e_b        real                (nuclei_nucl_num)

ocaml/Input.ml

@@ -775,7 +775,7 @@ end
 
 module Jastrow_type : sig
 
-  type t = None | Core | Simple
+  type t = None | Core | Simple | Mu
   val doc : string
   val read  : unit -> t
   val write : t -> unit
@@ -784,20 +784,22 @@ module Jastrow_type : sig
 
 end = struct
 
-  type t = None | Core | Simple
-  let doc = "Type of Jastrow factor [ None | Core | Simple ]"
+  type t = None | Core | Simple | Mu
+  let doc = "Type of Jastrow factor [ None | Core | Simple | Mu ]"
 
   let of_string s = 
     match String.capitalize_ascii (String.trim  s) with
     | "Core" -> Core
     | "Simple" -> Simple
     | "None" -> None
-    | _ -> failwith "Jastrow type should be [ None | Core | Simple ]"
+    | "Mu" -> Mu
+    | _ -> failwith "Jastrow type should be [ None | Core | Simple | Mu ]"
 
 
   let to_string = function
   | Core -> "Core"
   | Simple -> "Simple"
+  | Mu -> "Mu"
   | None -> "None"
 
 

src/JASTROW/jastrow_full.irp.f

@@ -26,6 +26,7 @@ BEGIN_TEMPLATE
 SUBST [X]
 Simple ;;
 Core   ;;
+Mu     ;;
 END_TEMPLATE
    if (ifirst == 0) then
      dshift = argexpo
@@ -83,6 +84,7 @@ BEGIN_TEMPLATE
 SUBST [ X ]
 Simple ;;
 Core   ;;
+Mu     ;;
 END_TEMPLATE
    !DIR$ VECTOR ALIGNED
    !DIR$ LOOP COUNT (200)
@@ -129,6 +131,7 @@ BEGIN_TEMPLATE
 SUBST [X]
 Simple ;;
 Core ;;
+Mu   ;;
 END_TEMPLATE
 
    !DIR$ VECTOR ALIGNED

src/JASTROW/jastrow_param.irp.f

@@ -27,8 +27,10 @@ BEGIN_PROVIDER [ integer, jast_type ]
     jast_type = t_None
   else if (buffer == types(t_Core)) then
     jast_type = t_Core
+  else if (buffer == types(t_Mu)) then
+    jast_type = t_Mu
   else
-    call abrt(irp_here,'Jastrow type should be (None|Simple|Core)')
+    call abrt(irp_here,'Jastrow type should be (None|Simple|Core|Mu)')
   endif
   call cinfo(irp_here,'jast_type',buffer)
 

src/types.F

@@ -11,6 +11,7 @@
 
       integer, parameter :: t_Simple   = 21
       integer, parameter :: t_None     = 22
+      integer, parameter :: t_Mu       = 23
       integer, parameter :: t_Core     = 24
 
       integer, parameter :: t_Stopped  = 0
@@ -41,7 +42,7 @@
           '               ',   &  
           'Simple         ',   &  
           'None           ',   &  
-          '               ',   &  
+          'Mu             ',   &  
           'Core           ',   &  
           '               '/)