Changeset 3fbbfbb for partem_p.f

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:

• partem_p.f (modified) (1 diff)

partem_p.f

@@ -11 +11 @@
 !     **************************************************************
 
+!>
+!!     PURPOSE: SIMULATION OF PROTEINS BY PARALLEL TEMPERING ALGORITHM
+!!     ON PARALLEL COMPUTERS USING MPI
+!!
+!!     switch: Choses the starting configuration:
+!!     -1 - stretched configuration
+!!     0 - don't change anything
+!!     1 - random start configuration
+!!
+!!     CALLS:  addang,contacts,energy,hbond,helix,iendst,metropolis,
+!!     outvar,(rand),rgyr
+!<
       subroutine  partem_p(num_rep, nequi, nswp, nmes, nsave, newsta,
      &                     switch, rep_id, partem_comm)
-!     
-!     PURPOSE: SIMULATION OF PROTEINS BY PARALLEL TEMPERING ALGORITHM 
-!     ON PARALLEL COMPUTERS USING MPI
-!     
-!     switch: Choses the starting configuration:
-!     -1 - stretched configuration
-!     0 - don't change anything
-!     1 - random start configuration
-!     
-!     CALLS:  addang,contacts,energy,hbond,helix,iendst,metropolis,
-!     outvar,(rand),rgyr
-!     
       include 'INCL.H'
       include 'INCP.H'