From 7dcaf96e49cd62f1d1f429d1ceaf7c872e613488 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Mon, 10 Mar 2014 05:20:52 +0100 Subject: [PATCH] wlaczona diagnostyka grad --- source/unres/src_MD-M/unres.F | 10 ++++++++-- 1 file changed, 8 insertions(+), 2 deletions(-) diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F index 0039fcc..c2c56f5 100644 --- a/source/unres/src_MD-M/unres.F +++ b/source/unres/src_MD-M/unres.F @@ -94,6 +94,7 @@ C Fine-grain slaves just do energy and gradient components. call exec_mult_eeval_or_minim else if (modecalc.eq.5) then call exec_checkgrad + call exec_checkgrad else if (ModeCalc.eq.7) then call exec_map else if (ModeCalc.eq.8) then @@ -706,9 +707,14 @@ c enddo write (iout,*) "Uconst",Uconst," Uconst_back",uconst_back print *,'icheckgrad=',icheckgrad goto (10,20,30) icheckgrad - 10 call check_ecartint + 10 print *,'kurwa0' + call check_ecartint + print *,'kurwa' + call check_ecartint return - 20 call check_cartgrad + 20 print *,'ja pierdole' + call check_cartgrad + call check_cartgrad return 30 call check_eint return -- 1.7.9.5