From 2b852d3f50a8fe421297f855fc03fd209d735285 Mon Sep 17 00:00:00 2001 From: Adam Kazimierz Sieradzan Date: Mon, 26 Nov 2012 04:22:14 -0500 Subject: [PATCH] Usuniecie diagnostyki w dzialajacym polu yi src_MD-M --- source/unres/src_MD-M/cinfo.f | 6 +++--- source/unres/src_MD-M/energy_p_new_barrier.F | 16 ++++++++-------- 2 files changed, 11 insertions(+), 11 deletions(-) diff --git a/source/unres/src_MD-M/cinfo.f b/source/unres/src_MD-M/cinfo.f index 6ca43e2..6e11a50 100644 --- a/source/unres/src_MD-M/cinfo.f +++ b/source/unres/src_MD-M/cinfo.f @@ -1,10 +1,10 @@ C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C -C 2 3 3488 +C 2 3 3489 subroutine cinfo include 'COMMON.IOUNITS' write(iout,*)'++++ Compile info ++++' - write(iout,*)'Version 2.3 build 3488' - write(iout,*)'compiled Fri Nov 23 09:23:06 2012' + write(iout,*)'Version 2.3 build 3489' + write(iout,*)'compiled Mon Nov 26 04:04:56 2012' write(iout,*)'compiled by aks255@matrix.chem.cornell.edu' write(iout,*)'OS name: Linux ' write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 ' diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F index 6df357a..70e22f4 100644 --- a/source/unres/src_MD-M/energy_p_new_barrier.F +++ b/source/unres/src_MD-M/energy_p_new_barrier.F @@ -4611,14 +4611,14 @@ C propagation of chirality for glycine type sinph1ph2(k,l)=scl-csl enddo enddo -c if (lprn) then + if (lprn) then write (iout,*) "i",i," ityp1",ityp1," ityp2",ityp2, & " ityp3",ityp3," theti2",theti2," phii",phii," phii1",phii1 -c write (iout,*) "coskt and sinkt" -c do k=1,nntheterm -c write (iout,*) k,coskt(k),sinkt(k) -c enddo -c endif + write (iout,*) "coskt and sinkt" + do k=1,nntheterm + write (iout,*) k,coskt(k),sinkt(k) + enddo + endif do k=1,ntheterm ethetai=ethetai+aathet(k,ityp1,ityp2,ityp3,iblock)*sinkt(k) dethetai=dethetai+0.5d0*k*aathet(k,ityp1,ityp2,ityp3,iblock) @@ -4701,8 +4701,8 @@ c endif enddo 10 continue c lprn1=.true. -c if (lprn1) - write (iout,'(i2,3f8.1,9h ethetai ,f10.5)') + if (lprn1) + & write (iout,'(i2,3f8.1,9h ethetai ,f10.5)') & i,theta(i)*rad2deg,phii*rad2deg, & phii1*rad2deg,ethetai c lprn1=.false. -- 1.7.9.5