Changeset 3fbbfbb for rgyr.f


Ignore:
Timestamp:
06/16/10 08:25:47 (14 years ago)
Author:
Jan Meinke <j.meinke@…>
Branches:
master
Children:
5fef0d7
Parents:
9f146fa
Message:

Move to doxygen comments and smmp_p.

Doxygen comments in Fortran are !> ... !! ... !<. I'm planning move the API documentation from the
lyx file into the code. This should make it easier to get documentation for all the common block
variables as well.

Use import smmp_p to indicate the parallel version of the Python bindings.

File:
1 edited

Legend:

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  • rgyr.f

    r9f146fa r3fbbfbb  
    1111
    1212
    13       subroutine rgyr(nml, rgy, ee)
     13!> CALCULATES THE RADIUS-OF-GYRATION AND THE END-TO-END DISTANCE
     14!! FOR A GIVEN PROTEIN CONFORMATION
     15!! If nml == 0, calculate the radius of gyration for all molecules
     16!!
     17!!     rgy  = radius-of-gyration
     18!!     ee   = end-to-end distance
     19!!
     20!! REQUIREMENTS: c_alfa has to be called BEFORE call of this subroutine
     21!!
     22!! CALLS: NONE
     23!<
     24          subroutine rgyr(nml, rgy, ee)
    1425
    15 ! CALCULATES THE RADIUS-OF-GYRATION AND THE END-TO-END DISTANCE
    16 ! FOR A GIVEN PROTEIN CONFORMATION
    17 ! If nml == 0, calculate the radius of gyration for all molecules
    18 !
    19 !     rgy  = radius-of-gyration
    20 !     ee   = end-to-end distance
    21 !
    22 ! REQUIREMENTS: c_alfa has to be called BEFORE call of this subroutine
    23 !
    24 ! CALLS: NONE
    25 !
    2626      include 'INCL.H'
    2727     
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