From b43da195a4b04b77c339170c5926406a72f7ae68 Mon Sep 17 00:00:00 2001
From: "Ryan@Home" <goluckyryan@gmail.com>
Date: Thu, 13 Mar 2025 20:48:12 -0400
Subject: [PATCH] added DWtest3.DAT for inelastic
---
dwuck4/DWtest3.DAT | 24 +++++++++++++++++
dwuck4/inFileCreatorDW.py | 54 ++++++++++++++++++++++-----------------
dwuck4/test.dat | 26 +++++++++++++++++++
3 files changed, 80 insertions(+), 24 deletions(-)
create mode 100644 dwuck4/DWtest3.DAT
create mode 100644 dwuck4/test.dat
diff --git a/dwuck4/DWtest3.DAT b/dwuck4/DWtest3.DAT
new file mode 100644
index 0000000..9971539
--- /dev/null
+++ b/dwuck4/DWtest3.DAT
@@ -0,0 +1,24 @@
+10001310500100000 16O(a,a)16O 6.971 2+, 40MeV
++181. +00. +01.0
++15+01+02+02
++00.10 +00.000 +15.000
++40.00 +04. +02. +16. +08. +01.30 +00.
++01. -88.955 +01.149 +00.675 -02.348 +01.345 +00.603
++02. +01.394 +00.687 +40.872 +01.394 +00.687
+-04. -14.228 +00.972 +01.011 +01.562 +00.477
+-6.971 +04. +02. +16. +08. +01.30 +00.
++01. -49.544 +01.146 +00.675 -02.061 +01.146 +00.675
++02. +30.680 +01.302 +00.528
+-04. -21.184 +00.934 +00.590 +00.424 +00.934 +00.590
+
+-00.00 +01. +00. +16. +08. +01.30 +00.
++02.000 -46.380 +01.250 +00.735 +00. +00.000 +01.250 +00.735 +00.000
+-03.000 +00.000 +01.250 +00.437 +00.000 +61.400 +01.250 +00.437 +00.000
+
++00.000 +01.000 +00.000 +16.000 +08. +01.250 +00.000 +00.000 +00.000
++11.000 -46.380 +01.250 +00.735 +00. +00.000 +01.250 +00.735 +00.000
++00.10 +03.
+-12.000 +00.000 +01.250 +00.437 +00. +61.400 +01.250 +00.437 +00.000
++00.10 +03.
+
+9 END OF DATA DWUCK4 test cases
\ No newline at end of file
diff --git a/dwuck4/inFileCreatorDW.py b/dwuck4/inFileCreatorDW.py
index f0af1f3..7cd917c 100755
--- a/dwuck4/inFileCreatorDW.py
+++ b/dwuck4/inFileCreatorDW.py
@@ -82,12 +82,14 @@ with open(fileOutName, "w") as file:
file.write("10001310500100000 " + reaction + "(" + str(Ex) + "," + orbital + ")" + " @ " + str(ELab) + " MeV/u\n")
file.write("+181. +00. +01.0\n")
file.write(f"+{maxL}+01+{l:02d}+{int(2*j):02d}\n")
- file.write(f"{0.1:+08.4f}{15:+08.4f}\n")
+ file.write(f"{0.1:+08.4f}{0.0:+08.4f}{15:+08.4f}\n")
#===== Block 5
if A_a == 2 :
pot = op.AnCai(A_A, Z_A, A_a*ELab)
- else:
+ if A_a == 1 :
pot = op.Koning(A_A, Z_A, A_a*ELab, Z_a)
+ if A_a == 4 :
+ pot == op.SuAndHan(A_A, Z_A, A_a*ELab)
file.write(f"{A_a*ELab:+08.4f}")
file.write(f"{A_a:+08.4f}")
@@ -95,24 +97,24 @@ with open(fileOutName, "w") as file:
file.write(f"{A_A:+08.4f}")
file.write(f"{Z_A:+08.4f}")
file.write(f"{pot.rc0:+08.4f}")
- file.write(f"{"":8s}")
- file.write(f"{"":8s}")
+ file.write(f"{'':8s}")
+ file.write(f"{'':8s}")
file.write(f"{2*spin_a:+08.4f}\n")
# Woods-Saxon
file.write(f"{1:+08.4f}")
file.write(f"{-pot.v:+08.4f}") # real
file.write(f"{pot.r0:+08.4f}") #
file.write(f"{pot.a:+08.4f}") #
- file.write(f"{"":8s}") # spin-orbit skipped
+ file.write(f"{'':8s}") # spin-orbit skipped
file.write(f"{-pot.vi:+08.4f}") # imag
file.write(f"{pot.ri0:+08.4f}") #
file.write(f"{pot.ai:+08.4f}\n") #
# Woods-Saxon surface
file.write(f"{2:+08.4f}")
- file.write(f"{"":8s}") # real
- file.write(f"{"":8s}") #
- file.write(f"{"":8s}") #
- file.write(f"{"":8s}") # spin-orbit skipped
+ file.write(f"{'':8s}") # real
+ file.write(f"{'':8s}") #
+ file.write(f"{'':8s}") #
+ file.write(f"{'':8s}") # spin-orbit skipped
file.write(f"{4*pot.vsi:+08.4f}") # imag
file.write(f"{pot.rsi0:+08.4f}") #
file.write(f"{pot.asi:+08.4f}\n") #
@@ -121,39 +123,43 @@ with open(fileOutName, "w") as file:
file.write(f"{-4*pot.vso:+08.4f}") # real
file.write(f"{pot.rso0:+08.4f}") #
file.write(f"{pot.aso:+08.4f}") #
- file.write(f"{"":8s}") # spin-orbit skipped
+ file.write(f"{'':8s}") # spin-orbit skipped
file.write(f"{-4*pot.vsoi:+08.4f}") # imag
file.write(f"{pot.rsoi0:+08.4f}") #
file.write(f"{pot.asoi:+08.4f}\n") #
#===== Block 6
- if A_a == 2 :
- pot = op.Koning(A_B, Z_B, A_a*ELab + Q_value - Ex, Z_b)
- else:
- pot = op.AnCai(A_B, Z_B, A_a*ELab + Q_value - Ex)
+ Eout = A_a*ELab + Q_value - Ex
+ if A_b == 1 :
+ pot = op.Koning(A_B, Z_B, Eout, Z_b)
+ if A_b == 2 :
+ pot = op.AnCai(A_B, Z_B, Eout)
+ if A_b == 4 :
+ pot = op.SuAndHan(A_B, Z_B, Eout)
+
file.write(f"{Q_value:+08.4f}")
file.write(f"{A_b:+08.4f}")
file.write(f"{Z_b:+08.4f}")
file.write(f"{A_B:+08.4f}")
file.write(f"{Z_B:+08.4f}")
file.write(f"{pot.rc0:+08.4f}")
- file.write(f"{"":8s}")
- file.write(f"{"":8s}")
+ file.write(f"{'':8s}")
+ file.write(f"{'':8s}")
file.write(f"{2*spin_b:+08.4f}\n")
# Woods-Saxon
file.write(f"{1:+08.4f}")
file.write(f"{-pot.v:+08.4f}") # real
file.write(f"{pot.r0:+08.4f}") #
file.write(f"{pot.a:+08.4f}") #
- file.write(f"{"":8s}") # spin-orbit skipped
+ file.write(f"{'':8s}") # spin-orbit skipped
file.write(f"{-pot.vi:+08.4f}") # imag
file.write(f"{pot.ri0:+08.4f}") #
file.write(f"{pot.ai:+08.4f}\n") #
# Woods-Saxon surface
file.write(f"{2:+08.4f}")
- file.write(f"{"":8s}") # real
- file.write(f"{"":8s}") #
- file.write(f"{"":8s}") #
- file.write(f"{"":8s}") # spin-orbit skipped
+ file.write(f"{'':8s}") # real
+ file.write(f"{'':8s}") #
+ file.write(f"{'':8s}") #
+ file.write(f"{'':8s}") # spin-orbit skipped
file.write(f"{4*pot.vsi:+08.4f}") # imag
file.write(f"{pot.rsi0:+08.4f}") #
file.write(f"{pot.asi:+08.4f}\n") #
@@ -162,7 +168,7 @@ with open(fileOutName, "w") as file:
file.write(f"{-4*pot.vso:+08.4f}") # real
file.write(f"{pot.rso0:+08.4f}") #
file.write(f"{pot.aso:+08.4f}") #
- file.write(f"{"":8s}") # spin-orbit skipped
+ file.write(f"{'':8s}") # spin-orbit skipped
file.write(f"{-4*pot.vsoi:+08.4f}") # imag
file.write(f"{pot.rsoi0:+08.4f}") #
file.write(f"{pot.asoi:+08.4f}\n") #
@@ -173,8 +179,8 @@ with open(fileOutName, "w") as file:
file.write(f"{A_c:+08.4f}")
file.write(f"{Z_c:+08.4f}")
file.write(f"{1.30:+08.4f}") # Coulomb radius
- file.write(f"{"":8s}") #
- file.write(f"{"":8s}") #
+ file.write(f"{'':8s}") #
+ file.write(f"{'':8s}") #
file.write(f"{1:+08.4f}\n") # neutron spin x 2
# Woods-Saxon
file.write(f"{-1:+08.4f}")
diff --git a/dwuck4/test.dat b/dwuck4/test.dat
new file mode 100644
index 0000000..28a4735
--- /dev/null
+++ b/dwuck4/test.dat
@@ -0,0 +1,26 @@
+1011000030000000 FE56(P,P)FE56* L=3- SPIN ORBIT = OPTION 4
++37.0000+00.0000+05.0000
++15+02+03+03
++00.1000+00.0000+15.0000
+
++22.5000+01.0078+01.0000+56.0000+26.0000+01.2500+00.0000+00.0000+01.0000
++04. -28.2 +01.25 +00.735 +00. +00. +01.25 +00.735 +00.
++01.0000-46.3800+01.2500+00.7350+00. +00.0000+01.2500+00.7350+00.0000
+-02.0000+00.0000+01.2500+00.4370+00.0000+61.4000+01.2500+00.4370+00.0000
+
+-04.4999+01.0078+01.0000+56.0000+26.0000+01.2500+00.0000+00.0000+01.0000
++04. -28.2 +01.25 +00.735 +00. +00. +01.25 +00.735 +00.
++01.0000-46.3800+01.2500+00.7350+00. +00.0000+01.2500+00.7350+00.0000
+-02.0000+00.0000+01.2500+00.4370+00.0000+61.4000+01.2500+00.4370+00.0000
+
++00.0000+01.0000+00.0000+56.0000+26.0000+01.2500+00.0000+00.0000+00.0000
++02.0000-46.3800+01.2500+00.7350+00. +00.0000+01.2500+00.7350+00.0000
+-03.0000+00.0000+01.2500+00.4370+00.0000+61.4000+01.2500+00.4370+00.0000
+
++00.0000+01.0000+00.0000+56.0000+26.0000+01.2500+00.0000+00.0000+00.0000
++11.0000-46.3800+01.2500+00.7350+00. +00.0000+01.2500+00.7350+00.0000
++00.10 +03.
+-12.0000+00.0000+01.2500+00.4370+00.0000+61.4000+01.2500+00.4370+00.0000
++00.10 +03.
+
+9 END OF DATA DWUCK4 test cases
\ No newline at end of file