189 lines
7.0 KiB
Plaintext
189 lines
7.0 KiB
Plaintext
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!**** Declarations
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real*8 pi,infty,zero
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real*8 scan_res
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real*8 hart2eV, eV2hart
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real*8 hart2icm, icm2hart
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real*8 eV2icm, icm2eV
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real*8 deg2rad, rad2deg
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integer maxneu,maxlay,maxtypes,maxtpar
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integer maxpats
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integer maxnin,maxnout,maxpout
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integer maxwei,neucap,wbcap
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integer maxxrmeta,xrcap
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integer iinfty
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integer iout,nnunit,perfunit,fitunit
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integer ec_error,ec_read,ec_dim,ec_log
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integer ec_dimrd
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character*2 newline
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character*8 stdfmt
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character*8 nnldir
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character*8 nntag
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character*16 prim_tag
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character*16 nnfdir,nnsdir
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character*16 sline,asline,hline
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character*16 mform,smform,miform
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character*16 lrfmt,lifmt
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character*32 nndmpfile,nnexpfile
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character*32 nndatfile,nnreffile
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character*32 sampfile,perfile
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character*32 nnparfile,nnp10file
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!**********************************************************
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!**** Parameters
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!*** maxneu: max. number of neurons per hidden layer
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!*** maxnin: max. number of neurons in input layer
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!*** maxnout: max. number of neurons in output layer
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!*** maxpout: max. number of values in output pattern
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!*** maxlay: max. number of layers (always >2)
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!*** maxtypes: max. number of neuron types
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!*** maxtpar: max. number of parameters for each neuron type
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!*** maxpats: max. number of learning patterns
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!*** maxxrmeta: max. number of metadata-blocks in xranges
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!*** WARNING: maxnout should not be > maxneu, deriv-like structures
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!*** assume so.
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parameter (maxneu=150,maxnin=14,maxnout=15)
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parameter (maxpout=15)
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parameter (maxlay=3,maxtypes=2,maxtpar=1)
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parameter (maxpats=50000)
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parameter (maxxrmeta=3)
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!**********************************************************
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!**** Inferred Parameters
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!*** maxwei: max. total number of weight matrix elements
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!*** neucap: max. total number of neurons
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!*** wbcap: max. total number of weights and biases
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!*** xrcap: max. total number of used dimensions in xranges
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parameter (maxwei=(maxlay-3)*maxneu**2+maxneu*(maxnin+maxnout))
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parameter (neucap=(maxlay-2)*maxneu+maxnin+maxnout)
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parameter (wbcap=maxwei+neucap)
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parameter (xrcap=2+maxxrmeta)
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!*** WARNING: maxwei may fail for 2-layered networks
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!*** if maxnin*maxnout is sufficiently large!
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!**********************************************************
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!**** Numerical Parameters
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!*** infty: largest possible double precision real value.
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!*** iinfty: largest possible integer value.
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!*** zero: sets what is considered an irrelevant difference
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!*** in size. use for comarison of reals, to determine
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!*** 'dangerously small' values, etc
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!*** scan_res: maximum precision for geometric boundary algorithm
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! 3.14159265358979323846264338327950...
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parameter (pi=3.1415926536D0)
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parameter (infty=huge(1.0D0),iinfty=huge(1))
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parameter (zero=1.0D-8,scan_res=1.0D-8)
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!**********************************************************
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!**** Unit Conversion Parameters
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!*** X2Y: convert from X to Y.
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!***
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!**** !? currently inexact. FIX THIS.
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!*** hart: hartree
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!*** eV: electron volt
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!*** icm: inverse centimeters (h*c/cm)
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!****
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!*** deg: degree
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!*** rad: radians
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parameter (hart2icm=219474.69d0)
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parameter (hart2eV=27.211385d0)
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parameter (eV2icm=hart2icm/hart2eV)
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parameter (icm2hart=1.0d0/hart2icm)
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parameter (eV2hart=1.0d0/hart2eV)
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parameter (icm2eV=1.0d0/eV2icm)
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parameter (deg2rad=pi/180.0d0)
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parameter (rad2deg=1.0d0/deg2rad)
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!**********************************************************
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!**** I/O Parameters
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!*** iout: standard output for vranf error messages
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!*** nnunit: temporary UNIT for misc. output files
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!*** nnuit + [0..99] are reserved for futher
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!*** unspecific misc. files.
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!*** perfunit: UNIT for performance logfile
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!*** fitunit: UNIT added to random positive integer
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!*** identifying a single core fit UNIQUELY
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!***
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!*** lrfmt: format for long real output
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!*** lifmt: format for long integer output
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!***
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!*** nndatfile: filename for DATA-files
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!*** (without file extension)
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!*** nnreffile: filename for reference DATA-blocks
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!*** (without file extension)
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!*** nnparfile: filename for best fitted parameters to be
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!*** written on (without file extension)
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!*** nnp10file: filename for the 10th percentile parameters to
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!*** be written on (without file extension)
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!*** nnexpfile: filename for modified neural network parameters
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!*** (without file extension)
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!*** sampfile: filename for displaying sampled points in
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!*** configuration space
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!*** nndmpfile: filename for dumping data point pairs
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!*** perfile: filename for logged fitting performances.
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!*** nntag: infix for various filenames to mark their origin
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!*** program should end with a trailing '_' if nonempty.
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!*** prim_tag: tag added to the '***' line of primitive par-files
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!*** nnfdir: directory for dumping fit files
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!*** nnsdir: directory for dumping scans.
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!*** nnldir: directory for dumping logfiles for each fit
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parameter (nndatfile='DATA_ANN')
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parameter (nnreffile='REF_ANN')
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parameter (nnparfile='../nnfits/fit_pars')
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parameter (nnp10file='../nnfits/fit_10p')
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parameter (nnexpfile='../nnfits/exp_pars')
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parameter (nndmpfile='../nnfits/fit_dump.dat')
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parameter (sampfile='../scans/samples.dat')
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parameter (perfile='../logs/performance.log')
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parameter (nnfdir='../nnfits/',nnsdir='../scans/')
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parameter (nnldir='../logs/')
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parameter (nntag='',prim_tag=' Time-stamp: " "')
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parameter (lrfmt='(ES20.12)',lifmt='(I)')
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parameter (iout=6,perfunit=700,nnunit=800,fitunit=8000)
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!**********************************************************
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!**** Debugging Parameters
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!*** sline: separation line
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!*** asline: alternative sep. line
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!*** hline: simple horizontal line
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!*** newline: a single blank line
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!*** mform: standard form for matrix output
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!*** miform: standard form for integer matrix output
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!*** smform: shortened form for matrix output
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!*** stdfmt: standard format for strings
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parameter (sline='(75("*"))',asline='(75("#"))')
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parameter (hline='(75("-"))')
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parameter (newline='()')
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parameter (mform='(5ES12.4)',smform='(5ES10.2)')
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parameter (miform='(5I12)')
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parameter (stdfmt='(A)')
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!**********************************************************
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!**** Error Codes
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!*** Codes should be powers of 2. Binary representation of return value
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!*** should correspond to all exceptions invoked. ec_error should never
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!*** be invoked with any other.
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!***
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!*** ec_error: generic error (catch-all, avoid!)
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!*** ec_read: parsing error during les()
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!*** ec_dim: dimensioning error
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!*** ec_log: logic error
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!***
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!**** Inferred error codes
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!*** ec_dimrd: ec_dim+ec_read
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parameter (ec_error=1,ec_read=2,ec_dim=4,ec_log=8)
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parameter (ec_dimrd=ec_dim+ec_read)
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