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https://github.com/LCPQ/quantum_package
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Bug in get_excitation_degree_vector
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13
configure
vendored
13
configure
vendored
@ -7,15 +7,16 @@ Usage: configure <config_file> (--production | --development)
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Options:
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Options:
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config_file A config file with all the information for the compilation
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config_file A config file with all the information for compiling.
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Example config_files are given in config/
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Example config_files are given in config/
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--production You can only compile all the modules with this flag,
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--production You can only compile **all** the modules with this flag,
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but the compilation will be lighting fast
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but it will compile lighting fast.
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--development this will create a build.ninja for each directory which
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contains a binary. In a second step you may compile them
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individually if you like.
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--development It will create a build.ninja for each directory
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which contains a binary, than you can compile them
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individually if you want
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Examples:
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Examples:
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@ -1023,9 +1023,9 @@ subroutine get_excitation_degree_vector(key1,key2,degree,Nint,sze,idx)
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do i=1,sze
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do i=1,sze
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d = 0
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d = 0
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!DEC$ LOOP COUNT MIN(4)
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!DEC$ LOOP COUNT MIN(4)
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do l=1,Nint
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do m=1,Nint
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d = d + popcnt(xor( key1(l,1,i), key2(l,1))) &
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d = d + popcnt(xor( key1(m,1,i), key2(m,1))) &
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+ popcnt(xor( key1(l,2,i), key2(l,2)))
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+ popcnt(xor( key1(m,2,i), key2(m,2)))
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enddo
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enddo
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if (d > 4) then
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if (d > 4) then
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cycle
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cycle
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