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Purpose
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libAtoms
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Function dipole_moment
Contents
Index
Module
linearalgebra_module
in file linearalgebra.f95
Subsections
Purpose
Usage
Uses
Module variables
Type
LA_Matrix
Elements
Interface
Initialise
Interface
Finalise
Interface
Matrix_Solve
Interface
find
Interface
sign
Interface
diag
Interface
print
Interface
print_mathematica
Interface
operator(.mult.)
Interface
matrix_product
Interface
matrix_product_sub
Interface
operator(.multd.)
Interface
matrix_product_vect_asdiagonal_sub
Interface
matrix_product_vect_asdiagonal_RL_sub
Interface
matrix_mvmt
Interface
operator(.dot.)
Interface
operator(.feq.)
Interface
operator(.fne.)
Interface
diagonalise
Interface
inverse
Interface
operator(.outer.)
Interface
operator(.realouter.)
Interface
operator(.cross.)
Interface
is_symmetric
Interface
is_hermitian
Interface
is_square
Interface
symmetrise
Interface
trace
Interface
trace_mult
Interface
add_identity
Interface
add_xidentity
Interface
norm
Interface
norm2
Interface
randomise
Interface
find_in_array
Interface
rms_diff
Interface
histogram
Interface
sort_array
Interface
insertion_sort
Interface
check_size
Interface
update_exponential_average
Subroutine
matrix_nonsymmetric_diagonalise
Subroutine
test_eigensys
Subroutine
LA_Matrix_Factorise
Subroutine
LA_Matrix_Inverse
Subroutine
Matrix_CholFactorise
Subroutine
Matrix_BackSubstitute
Subroutine
Matrix_Solve_Upper_Triangular
Subroutine
Matrix_Factorised_Inverse
Subroutine
fit_cubic
Subroutine
logical_array_print
Subroutine
uniq
Subroutine
zero_sum
Subroutine
least_squares
Subroutine
update_running_average_and_variance
Subroutine
polar_decomposition
Subroutine
matrix3x3_inverse
Function
delta
Function
matrix_multT
Function
LA_Matrix_LogDet
Function
LA_Matrix_Det
Function
is_diagonal
Function
angle
Function
sqrt_cut
Function
ran_normal3
Function
array3_triple
Function
scalar_triple_product
Function
vector_triple_product
Function
unit_vector
Function
random_unit_vector
Function
linear_interpolate
Function
cubic_interpolate
Function
is_in_array
Function
binary_search
Function
average_array
Function
bin
Function
bin_centre
Function
int_array_ge
Function
int_array_gt
Function
int_array_lt
Function
sphere_intersection_vol
Function
permutation_symbol
Function
matrix3x3_det
gabor 2009-06-30
