GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Data Types | |
interface | f1mach |
This function resolves into the particular routines depending on the type of the second dummy argument 'p' which specifies the data type for which the machine parameters are required. More... | |
Functions/Subroutines | |
subroutine, public | print_precision_params (stdout) |
integer function, public | I1MACH (I) |
Variables | |
integer, parameter | rbyte = 8 |
integer, parameter | sp =selected_real_kind(6) |
integer, parameter | sp_bytes = 4 |
integer, parameter | wp =selected_real_kind(12) |
integer, parameter | wp_bytes = 8 |
integer, parameter | ep1 =selected_real_kind(19) |
integer, parameter | ep1_bytes = 16 |
integer, parameter | ep = MAX(ep1, wp) |
integer, parameter | shortint =selected_int_kind(9) |
integer, parameter | longint =selected_int_kind(10) |
integer, parameter | cfp = ep |
Floating point precision for which the library is to be compiled (Current-Float-Precision). It must be one of: wp, ep, ep1. Single precision (sp) is not supported. More... | |
integer, parameter | cfp_bytes = ep1_bytes |
Number of bytes in float of type real(kind=cfp). More... | |
integer, parameter | storage_unit_cfp = cfp_bytes |
Storage unit used when writing values of kind cfp into disk. More... | |
integer, parameter | storage_unit_int = bit_size(wp)/8 |
Storage unit used when writing values of default integer kind into disk. More... | |
real(kind=cfp), parameter | cfp_dummy = 1.0_cfp |
Dummy variable used on input to F1MACH in various routines. More... | |
real(kind=wp), parameter | wp_dummy = 1.0_cfp |
Dummy variable used on input to F1MACH in various routines. More... | |
real(kind=ep1), parameter | ep_dummy = 1.0_cfp |
Dummy variable used on input to F1MACH in various routines. More... | |
integer function, public precisn_gbl::I1MACH | ( | integer | I | ) |
***PURPOSE Return integer machine dependent constants. ***LIBRARY SLATEC ***CATEGORY R1 ***TYPE INTEGER (I1MACH-I) ***KEYWORDS MACHINE CONSTANTS ***AUTHOR Fox, P. A., (Bell Labs) Hall, A. D., (Bell Labs) Schryer, N. L., (Bell Labs) ***DESCRIPTION I1MACH can be used to obtain machine-dependent parameters for the local machine environment. It is a function subprogram with one (input) argument and can be referenced as follows: K = I1MACH(I) where I=1,...,16. The (output) value of K above is determined by the (input) value of I. The results for various values of I are discussed below. I/O unit numbers: I1MACH( 1) = the standard input unit. I1MACH( 2) = the standard output unit. I1MACH( 3) = the standard punch unit. I1MACH( 4) = the standard error message unit. Words: I1MACH( 5) = the number of bits per integer storage unit. I1MACH( 6) = the number of characters per integer storage unit. Integers: assume integers are represented in the S-digit, base-A form sign ( X(S-1)*A**(S-1) + ... + X(1)*A + X(0) ) where 0 .LE. X(I) .LT. A for I=0,...,S-1. I1MACH( 7) = A, the base. I1MACH( 8) = S, the number of base-A digits. I1MACH( 9) = A**S - 1, the largest magnitude. Floating-Point Numbers: Assume floating-point numbers are represented in the T-digit, base-B form sign (B**E)*( (X(1)/B) + ... + (X(T)/B**T) ) where 0 .LE. X(I) .LT. B for I=1,...,T, 0 .LT. X(1), and EMIN .LE. E .LE. EMAX. I1MACH(10) = B, the base. Single-Precision: I1MACH(11) = T, the number of base-B digits. I1MACH(12) = EMIN, the smallest exponent E. I1MACH(13) = EMAX, the largest exponent E. Double-Precision: I1MACH(14) = T, the number of base-B digits. I1MACH(15) = EMIN, the smallest exponent E. I1MACH(16) = EMAX, the largest exponent E. Quad-Precision: I1MACH(17) = T, the number of base-B digits. I1MACH(18) = EMIN, the smallest exponent E. I1MACH(19) = EMAX, the largest exponent E. ***REFERENCES P. A. Fox, A. D. Hall and N. L. Schryer, Framework for a portable library, ACM Transactions on Mathematical Software 4, 2 (June 1978), pp. 177-188. ***ROUTINES CALLED (NONE)
subroutine, public precisn_gbl::print_precision_params | ( | integer, intent(in) | stdout | ) |
integer parameter precisn_gbl::cfp = ep |
Floating point precision for which the library is to be compiled (Current-Float-Precision). It must be one of: wp, ep, ep1. Single precision (sp) is not supported.
integer parameter precisn_gbl::cfp_bytes = ep1_bytes |
Number of bytes in float of type real(kind=cfp).
real(kind=cfp), parameter precisn_gbl::cfp_dummy = 1.0_cfp |
Dummy variable used on input to F1MACH in various routines.
integer, parameter precisn_gbl::ep1 =selected_real_kind(19) |
integer, parameter precisn_gbl::ep1_bytes = 16 |
real(kind=ep1), parameter precisn_gbl::ep_dummy = 1.0_cfp |
Dummy variable used on input to F1MACH in various routines.
integer, parameter precisn_gbl::longint =selected_int_kind(10) |
integer, parameter precisn_gbl::rbyte = 8 |
integer, parameter precisn_gbl::shortint =selected_int_kind(9) |
integer, parameter precisn_gbl::sp =selected_real_kind(6) |
integer, parameter precisn_gbl::sp_bytes = 4 |
integer, parameter precisn_gbl::storage_unit_cfp = cfp_bytes |
Storage unit used when writing values of kind cfp into disk.
integer, parameter precisn_gbl::storage_unit_int = bit_size(wp)/8 |
Storage unit used when writing values of default integer kind into disk.
integer, parameter precisn_gbl::wp =selected_real_kind(12) |
integer, parameter precisn_gbl::wp_bytes = 8 |
real(kind=wp), parameter precisn_gbl::wp_dummy = 1.0_cfp |
Dummy variable used on input to F1MACH in various routines.