Editing documentation, updating to reflect change .f -> .f90.

doc/user-man/compile-make.rst

@@ -35,7 +35,7 @@ To compile the code in this way, proceed as follows:
  * The pscf/git/make directory will contain files named config.mk_r 
  and Makefile. Make a copy of the file config.mk_r, by entering::
 
- cd config.mk_r config.mk
+ cp config.mk_r config.mk
 
  * Examine and edit the new config.mk file to reflect your environment, 
  and to specify an installation directory. See below for further 
@@ -118,6 +118,10 @@ This will install:
 
  * python modules in $(INSTALL)/lib/python2.7/site-packages/pscf/
 
+ * matlab scripts in $(INSTALL)/lib/matlab
+
+ * text files in $(INSTALL)/share
+
 where $(INSTALL) denotes the value of the makefile variable defined in 
 the config.mk file.
 

make/.gitignore

@@ -1,4 +1,5 @@
 *.f
+*.f90
 *.o
 *.mod
 pscf

make/INSTALL

@@ -29,7 +29,7 @@ FFTW fast fourier transform library.
 2. Change directory (cd) to the pscf/make directory (i.e., this 
 directory) and copy the file config.mk_r to config.mk, by entering
 
-> cp Makefile_r Makefile
+> cp config.mk_r config.mk
 
 Explanation: The file config.mk_r is a default version of a 
 configuration file that is stored in the git repository. Users can 

src/SRC_FILES

@@ -1,10 +1,10 @@
 
 File Name Conventions:
 
- Files named <base>_mod.f are Fortran 90 modules
- Files named <name>.fp.f are preprocessor input files. 
+ Files named <base>_mod.f90 are Fortran 90 modules
+ Files named <name>.fp.f90 are preprocessor input files. 
 
- The un-preprocessed version of the main program is src/pscf.fp.f. 
+ The un-preprocessed version of the main program is src/pscf.fp.f90. 
  A corresponding compilable fortran program is generated by applying
  a preprocessor script, which installs the resulting program in the 
  build directory. See the end of this file for a discussion of the 
@@ -17,9 +17,9 @@ File Name Conventions:
 src/
 ----
 
-pscf.fp.f
+pscf.fp.f90
  Main program (preprocessor input file). Used to generate the 
- compilable fortran file pscf.f in the build directory.
+ compilable fortran file pscf.f90 in the build directory.
 
 const_mod
  Defines global variable dim (= # dimensions of space) and 
@@ -47,15 +47,15 @@ io/version_mod
 src/grid/
 ---------
 
-grid/fft3_mod.f
+grid/fft3_mod.f90
  Fortran 90 wrappers for FFTW Fourier transform functions, 
- for FFTW version 3 (Either this or fft2_mod.f is linked)
+ for FFTW version 3 (Either this or fft2_mod.f90 is linked)
 
-grid/fft2_mod.f
+grid/fft2_mod.f90
  Fortran 90 wrappers for FFTW Fourier transform functions,
- for FFTW version 2 (Either this or fft3_mod.f is linked)
+ for FFTW version 2 (Either this or fft3_mod.f90 is linked)
 
-grid/grid_mod.f
+grid/grid_mod.f90
  Defines scf data structures on an FFT grid, and routines
  to allocate, deallocate, and manipulate these structures.
  Defines ngrid, rho_grid, omega_grid, and ksq_grid. Also 
@@ -91,7 +91,7 @@ crystal/basis_mod
  comment within basis_mod, which is reproduced in the 
  developer/api documentation for the module. 
 
-crystal/grid_basis_mod.f
+crystal/grid_basis_mod.f90
  Contains routines to convert between representations of a
  field as a 1D array of coefficients of symmetry-adpated
  basis functions and as a set of values defined at points
@@ -106,20 +106,20 @@ scf/chemistry_mod
  molecular volume fractions etc.), and routines to input and 
  output this data. 
 
-scf/scf_mod.fp.f
+scf/scf_mod.fp.f90
  Contains routines to solve diffusion equation by the
  pseudo-spectral method, and to calculate monomer 
  concentration fields, the free and energy, and stress.
- Note: scf/scf_mod.fp.f is a preprocessor input file, which
- is used to generate file scf_mod.f in the build directory.
+ Note: scf/scf_mod.fp.f90 is a preprocessor input file, which
+ is used to generate file scf_mod.f90 in the build directory.
 
-scf/step_mod.f
+scf/step_mod.f90
  Routines to integrate one time step of modified diffusion
  equation, using the Rasmussen-Kaloskas pseudo-spectral
  algorithm and extrapolation with respect to contour 
  length step size.
 
-scf/chain_mod.f
+scf/chain_mod.f90
  Defines a derived type chain_type that contains the
  q(r,s) =qf and q^{+}(r,s) =qr functions for a chain, and 
  information about discretization in r and s. Also defines 
@@ -129,11 +129,11 @@ scf/chain_mod.f
 src/iterate
 ------------
 
-iterate/iterate_mod.fp.f
+iterate/iterate_mod.fp.f90
  Iterates scf equations to convergence. Currently contains
  Newton-Raphson (NR) algorithm for both fixed and variable 
- unit cells. Note: File iterate_mod.fp.f is a preprocessor
- input file, which is used to generate file iterate_mod.f
+ unit cells. Note: File iterate_mod.fp.f90 is a preprocessor
+ input file, which is used to generate file iterate_mod.f90
  in the build directory.
 
 iterate/sweep_mod
@@ -142,21 +142,21 @@ iterate/sweep_mod
  Implements 1st and 2nd order continuation of solutions 
  along such a path.
 
-iterate/respond_pd_mod.f
+iterate/respond_pd_mod.f90
  Calculate response of periodic structures in form needed to
- construct approximate Jacobian for iterate_mod.f
+ construct approximate Jacobian for iterate_mod.f90
 
 src/response/
 -------------
 
-response/response_mod.f
+response/response_mod.f90
  Module for calculating SCF linear response of period structure
 
-response/response_step_mod.f
+response/response_step_mod.f90
  Routines to integrate inhomogeneous PDE required in the ideal 
  gas perturbation theory
 
-response/extrapolate_mod.f
+response/extrapolate_mod.f90
  Implements extrapolation with respect to contour length step 
  size ds. 
 
@@ -177,9 +177,9 @@ src/attic/
 
  The relevant preprocesor input files are:
 
- src/pscf.fp.f 
- src/iterate/iterate_mod.fp.f 
- src/scf/scf_mod.fp.f 
+ src/pscf.fp.f90 
+ src/iterate/iterate_mod.fp.f90 
+ src/scf/scf_mod.fp.f90 
 
  These are fortran files that contain preprocessor directives that
  control conditional compilation of some sections of code. The 
@@ -189,9 +189,9 @@ src/attic/
  a Fortran file with the same name as the preprocessor input file 
  without the .fp. string. The resulting fortran files are thus named:
 
- build/scf.f 
- build/iterate_mod.f 
- build/scf_mod.f 
+ build/scf.f90 
+ build/iterate_mod.f90 
+ build/scf_mod.f90 
 
  These preprocessed fortran files installed in the build directory 
  from which make is invoked, rather than in the src/ directory. If 
@@ -212,10 +212,10 @@ src/attic/
  conditional compilation directives and are excluded from release
  versions of the corresponding fortran files. 
 
- If the *.fp.f preprocessor files are modified, and the program 
+ If the *.fp.f90 preprocessor files are modified, and the program 
  is then recompiled using either cmake or the make file in the 
- pscf/make directory, then the *.f fortran files will be regenerated
+ pscf/make directory, then the *.f90 fortran files will be regenerated
  regenerated as part of the build process. When compiled with make
- in the src/make directory, the src/make/*.f fortran files are also
+ in the src/make directory, the src/make/*.f90 fortran files are also
  removed by the 'make clean' command.