reset reciprocal lattice reading multiframe coordinate files

Author: jayponder

source/0README

@@ -3,25 +3,25 @@
                     SOURCE Directory for the Tinker Package
                     #######################################
 
-         This directory contains Fortran source code for the current
-         version of the Tinker program package.
+      This directory contains Fortran source code for the current version
+      of the Tinker program package.
 
-         The code is in a standard Fortran dialect that should compile
-         unchanged on most machines. Script files to build the package
-         on a variety of systems are in subdirectories named for the
-         machine/operating system. A Makefile is also provided.
+      The code is in standard Fortran and should compile unchanged on most
+      systems. Script files to build the package on a variety of machines
+      are in subdirectories named for machine/operating systems. Makefiles
+      and scripts for use of cmake are also provided.
 
-         Only a few source files may require editing prior to building:
-         "sizes.f" which contains some master array dimensions used
-         throughout the package, and "openend.f" which is a system
-         dependent routine to open a file at the end.
+      Only a few source files may require editing prior to building. These
+      are "sizes.f" which contains master array dimensions used throughout
+      the package, and "openend.f" which is a system dependent routine to
+      open a file at the end.
 
-         If you are building an OpenMP-capable version of Tinker with
-         the Intel Fortran compiler, then it is necessary to uncomment
-         the calls to Intel-specific extensions "kmp_set_stacksize_s"
-         and "kmp_set_blocksize" near the top of the file "initial.f".
+      If you are building an OpenMP-capable Tinker version with the Intel
+      Fortran compiler, then it is necessary to uncomment the calls to
+      Intel-specific routines "kmp_set_stacksize_s" and "kmp_set_blocksize"
+      near the top of the file "initial.f".
 
-         In addition, if your system does not support the iargc/getarg
-         mechanism for command line arguments, then comment out the
-         call to the subroutine "command" at the bottom of "initial.f".
+      Also, if your system does not support the iargc/getarg mechanism
+      for command line arguments, then comment the call to the subroutine
+      "command" at the bottom of "initial.f".
 

source/readxyz.f

@@ -190,6 +190,7 @@ subroutine readxyz (ixyz)
                   if (atmp .eq. 0.0d0)  alpha = 90.0d0
                   if (btmp .eq. 0.0d0)  beta = 90.0d0
                   if (gtmp .eq. 0.0d0)  gamma = 90.0d0
+                  call lattice
                end if
             end if
          end if