Changes to complete Version 4.1. See "Version4.1_Notes.txt"

Version4.1_Notes.txt

@@ -0,0 +1,37 @@
+Notes on changes for MatMCNP Version 4.1
+ - July 2020
+-------------------------------
+
+(1) The mass defects for each isotope were updated to reflect the values found here:
+
+    https://www.nndc.bnl.gov/nudat2/indx_sigma.jsp 
+
+    At the time of the update this tool stated this �Nuclear Wallet Cards database version of 7/10/2019.�
+
+(2) The value used to calculate the atomic masses (931.494 MeV/amu) was parameterized. As originally written
+    K. Kajder used the number in ~100 places in the code. Now, that value is a declared parameter in the 
+    "NWC_DATABASE" module. This was done because this value is likely to change (see comments in the source),
+    but it's value was NOT changed in this version. For all practical purposes, the difference between this value
+    and the official value will not be detectable in MatMCNP. However, should one wish to update mass defects in 
+    the future based on a different definition of the MeV/amu than the one used in 2004, it is easily 
+    accomplished with a one line change.
+
+(3) The default cross section set was updated to reflect the ENDF/B-VIII.0 release at 293.6 K (*.00c). For most
+    elements and isotopes, the only change was as simple as change "13027.80c" to "13027.00c". However, the new
+    cross section evaluation provided new evaluations for O-18 (treated as O-16 in previous versions), Neon 
+    (not treated by MatMCNP previously), Ytterbium (not treated by MatMCNP previously), and Osmium (not treated 
+    by MatMCNP previously). In addition, both Carbon and Platinum are now treated isotopically instead of as 
+    elements. These changes made the "naturalzaid" routine obsolete and required changes to the "print_data"
+    routine.
+
+(4) The code was modified to accept command line arguments for the input and output files. Now the code has 2 usages:
+
+    >> MatMCNP.exe
+
+    - The default "matmcnp.inp" and "matmcnp.out" files will be used. This method will continue to be used by the 
+      batch (csh) and perl scripts.
+
+    >> MatMCNP.exe  input-filename  output-filename
+
+    - This is the updated code and requires 2 arguments. The filenames should be less than 80 characters.
+

source/MatMCNP.f90

@@ -35,12 +35,12 @@ PROGRAM MatMCNP
    IMPLICIT NONE
 
    !Variables
-   CHARACTER(LEN=11)::infile,outfile
+   CHARACTER(LEN=80)::infile,outfile
 
    REAL:: compound_density,total_atom_b_cm,total_fake_atomic_weight,FM_value
    REAL, DIMENSION(92):: a_or_w_percent, w_percent,a_percent, fake_atomic_weight
    REAL,DIMENSION(300):: iso_atom_b_cm
-   INTEGER:: number_elements,i
+   INTEGER:: num_args,number_elements,i
    INTEGER, DIMENSION(92)::z_of_element
    CHARACTER(LEN=3), DIMENSION(92)::natural_or_enriched
    CHARACTER(LEN=6):: atomic, weight,symbol,atom_or_weight
@@ -69,12 +69,29 @@ PROGRAM MatMCNP
    CALL Z91_Z92
 
    !Assign names to input and output file.
-   ! - Eventually I plan to make this an commandline option, so that
-   !   the user can specify both the input and output file names.
-   !   Currently, the MatMCNP program runs with a script that
-   !   performs the file name moves for the user instead.
-   infile = "matmcnp.inp"
-   outfile = "matmcnp.out"
+   !
+   num_args = COMMAND_ARGUMENT_COUNT()
+   IF (num_args == 0) THEN
+     ! The old method of input and output.
+     infile = "matmcnp.inp"
+     outfile = "matmcnp.out"
+   ELSE IF (num_args == 2) THEN
+     ! Accept input as argument #1 and output as argument #2
+     ! Not checking for it, but this will fail for filenames > 80 characters.
+     CALL GET_COMMAND_ARGUMENT(1, infile)
+     infile = TRIM(infile)
+     CALL GET_COMMAND_ARGUMENT(2, outfile)
+     outfile = TRIM(outfile)
+   ELSE
+     PRINT*, "MatMCNP expects no arguments OR 2 arguments."
+     PRINT*, ""
+     PRINT*, " If no argument is used, matmcnp.inp is the input file and"
+     PRINT*, "   matmcnp.out is the output file."
+     PRINT*, ""
+     PRINT*, " If 2 arguments are used, the input filename is the 1st argument"
+     PRINT*, "   and the output filename is the 2nd argument."
+     STOP
+   END IF
 
    ! Open the input and output file.
    OPEN (UNIT = 10, FILE = infile, STATUS = "OLD")

source/makefile

@@ -5,7 +5,7 @@
 #
 #
 objects =   NWC.o NWC-Database.o  atom_density.o  enriched.o \
-            MatMCNP.o  naturalzaid.o  print_data.o  read_data.o  \
+            MatMCNP.o print_data.o  read_data.o  \
             title_comment.o  weight_percent.o  Z1_Z5.o  Z6_Z10.o \
             Z11_Z15.o  Z16_Z20.o  Z21_Z25.o  Z26_Z30.o Z31_Z35.o \
             Z36_Z40.o  Z41_Z45.o  Z46_Z50.o  Z51_Z55.o Z56_Z60.o \
@@ -37,7 +37,6 @@ NWC-Database.o : NWC.o
 atom_density.o : NWC.o NWC-Database.o 
 enriched.o : NWC.o NWC-Database.o 
 MatMCNP.o : NWC.o NWC-Database.o 
-naturalzaid.o : NWC.o NWC-Database.o 
 print_data.o : NWC.o NWC-Database.o 
 read_data.o : NWC.o NWC-Database.o
 weight_percent.o : NWC.o NWC-Database.o 

source/print_data.f90

@@ -73,12 +73,13 @@ SUBROUTINE print_data(total_atom_b_cm,iso_atom_b_cm,mat_number,z_of_element)
         END IF
      END DO
 
+
      !Print info. in MatMCNP format.
      WRITE (UNIT=11,FMT=777) mat_number,output_array(1)%zaid,output_array(1)%atom_percent
 
      !If there is more than one isotope in the mixture, then print out that information.
-     IF (adj_num_iso > 1) THEN
-         DO i=2,adj_num_iso
+     IF (num_iso > 1) THEN
+         DO i=2,num_iso
             WRITE (UNIT=11,FMT=888) output_array(i)%zaid,output_array(i)%atom_percent
          END DO
      END IF