From: Adam Liwo <adam@piasek4.chem.univ.gda.pl>
Date: Fri, 23 Jan 2015 20:30:52 +0000 (+0100)
Subject: Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda.pl:unres into prerelease-3.2.1
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=c16c0dde5e41c15776ead4accc08b9cdbe742607

Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda.pl:unres into prerelease-3.2.1

Conflicts:
	source/unres/src_MD-M/cinfo.f
	source/unres/src_MD-M/refsys.f
---

c16c0dde5e41c15776ead4accc08b9cdbe742607
diff --cc source/unres/src_MD-M/cinfo.f
index c7b5141,36b5de7..db23899
--- a/source/unres/src_MD-M/cinfo.f
+++ b/source/unres/src_MD-M/cinfo.f
@@@ -1,17 -1,17 +1,31 @@@
  C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
++<<<<<<< HEAD
 +C 0 40360 9
 +      subroutine cinfo
 +      include 'COMMON.IOUNITS'
 +      write(iout,*)'++++ Compile info ++++'
 +      write(iout,*)'Version 0.40360 build 9'
 +      write(iout,*)'compiled Fri Jan 23 21:00:08 2015'
 +      write(iout,*)'compiled by adam@mmka'
++=======
+ C 0 40360 1
+       subroutine cinfo
+       include 'COMMON.IOUNITS'
+       write(iout,*)'++++ Compile info ++++'
+       write(iout,*)'Version 0.40360 build 1'
+       write(iout,*)'compiled Wed Jan  7 10:41:15 2015'
+       write(iout,*)'compiled by czarek@piasek4'
++>>>>>>> 9a082c1ab203120d8e865971546d473fb146fcdc
        write(iout,*)'OS name:    Linux '
 -      write(iout,*)'OS release: 3.2.0-70-generic '
 +      write(iout,*)'OS release: 3.2.0-72-generic '
        write(iout,*)'OS version:',
 -     & ' #105-Ubuntu SMP Wed Sep 24 19:49:16 UTC 2014 '
 +     & ' #107-Ubuntu SMP Thu Nov 6 14:24:01 UTC 2014 '
        write(iout,*)'flags:'
++<<<<<<< HEAD
 +      write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...'
++=======
+       write(iout,*)'INSTALL_DIR = /users/software/mpich2-1.4.1p1_in...'
++>>>>>>> 9a082c1ab203120d8e865971546d473fb146fcdc
        write(iout,*)'FC= ifort'
        write(iout,*)'OPT =  -O3 -ip '
        write(iout,*)'FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include '
diff --cc source/unres/src_MD-M/refsys.f
index b57c201,8c58a82..a6aa5e9
--- a/source/unres/src_MD-M/refsys.f
+++ b/source/unres/src_MD-M/refsys.f
@@@ -1,13 -1,13 +1,18 @@@
        subroutine refsys(i2,i3,i4,e1,e2,e3,fail)
++<<<<<<< HEAD
 +      implicit real*8 (a-h,o-z)
 +      include 'DIMENSIONS'
 +c this subroutine calculates unity vectors of a local reference system
 +c defined by atoms (i2), (i3), and (i4). the x axis is the axis from
++=======
+ c This subroutine calculates unit vectors of a local reference system
+ c defined by atoms (i2), (i3), and (i4). The x axis is the axis from
++>>>>>>> 9a082c1ab203120d8e865971546d473fb146fcdc
  c atom (i3) to atom (i2), and the xy plane is the plane defined by atoms
  c (i2), (i3), and (i4). z axis is directed according to the sign of the
 -c vector product (i3)-(i2) and (i3)-(i4). Sets fail to .true. if atoms
 +c vector product (i3)-(i2) and (i3)-(i4). sets fail to .true. if atoms
  c (i2) and (i3) or (i3) and (i4) coincide or atoms (i2), (i3), and (i4)
 -c form a linear fragment. Returns vectors e1, e2, and e3.
 -      implicit real*8 (a-h,o-z)
 -      include 'DIMENSIONS'
 +c form a linear fragment. returns vectors e1, e2, and e3.
        logical fail
        double precision e1(3),e2(3),e3(3)
        double precision u(3),z(3)