Changeset bd2278d for gradient.f
- Timestamp:
- 09/05/08 11:49:42 (16 years ago)
- Branches:
- master
- Children:
- fafe4d6
- Parents:
- 2ebb8b6
- File:
-
- 1 edited
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gradient.f
r2ebb8b6 rbd2278d 1 C**************************************************************2 c 3 cThis file contains the subroutines: gradient4 c 5 cCopyright 2003-2005 Frank Eisenmenger, U.H.E. Hansmann,6 cShura Hayryan, Chin-Ku7 cCopyright 2007 Frank Eisenmenger, U.H.E. Hansmann,8 cJan H. Meinke, Sandipan Mohanty9 c 10 c**************************************************************1 ! ************************************************************** 2 ! 3 ! This file contains the subroutines: gradient 4 ! 5 ! Copyright 2003-2005 Frank Eisenmenger, U.H.E. Hansmann, 6 ! Shura Hayryan, Chin-Ku 7 ! Copyright 2007 Frank Eisenmenger, U.H.E. Hansmann, 8 ! Jan H. Meinke, Sandipan Mohanty 9 ! 10 ! ************************************************************** 11 11 12 12 13 13 subroutine gradient() 14 14 15 c-------------------------------------------16 cPURPOSE: calculate energy & gradients17 c 18 cCALLS: opeflx,opereg,opeshe,opesol,setvar19 c-------------------------------------------15 ! ------------------------------------------- 16 ! PURPOSE: calculate energy & gradients 17 ! 18 ! CALLS: opeflx,opereg,opeshe,opesol,setvar 19 ! ------------------------------------------- 20 20 21 21 include 'INCL.H'
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