Changeset 3fbbfbb for enyshe.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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  • enyshe.f

    r9f146fa r3fbbfbb  
    1010! **************************************************************
    1111
     12!> PURPOSE: Calculate internal energy of molecule 'nml' with ECEPP parameters
     13!!
     14!! CALLS: none
     15!!
     16!! The function loops over all moving sets within the molecule. Within
     17!! this loop it loops over the van-der-Waals domains of each atom in the
     18!! moving set and finally over the atoms that belong to the 1-4 interaction
     19!! set.
     20!< ............................................................................
    1221
    1322      real*8 function enyshe(nml)
    1423
    15 ! ............................................................................
    16 !
    17 ! PURPOSE: Calculate internal energy of molecule 'nml' with ECEPP parameters
    18 !
    19 ! CALLS: none
    20 !
    21 ! The function loops over all moving sets within the molecule. Within
    22 ! this loop it loops over the van-der-Waals domains of each atom in the
    23 ! moving set and finally over the atoms that belong to the 1-4 interaction
    24 ! set.
    25 ! ............................................................................
    2624
    2725      include 'INCL.H'
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