2024-10-21 14:01:28 +02:00
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!**** Declarations
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2024-11-06 13:54:50 +01:00
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real*8 pi
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2024-10-21 14:01:28 +02:00
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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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2024-11-06 13:54:50 +01:00
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integer maxnin,maxnout
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2024-10-21 14:01:28 +02:00
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!**********************************************************
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!**** Parameters
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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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2024-11-06 13:54:50 +01:00
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parameter (maxnin=14,maxnout=15)
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2024-10-21 14:01:28 +02:00
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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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! 3.14159265358979323846264338327950...
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parameter (pi=3.1415926536D0)
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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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!*** 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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