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Bug in get_excitation_degree_vector

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This commit is contained in:
Anthony Scemama 2015-09-19 01:37:44 +02:00
parent e31f162e5b
commit 979aa6a793
2 changed files with 10 additions and 9 deletions
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13
configure vendored
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@ -7,15 +7,16 @@ Usage: configure <config_file> (--production | --development)
Options:
config_file A config file with all the information for the compilation
config_file A config file with all the information for compiling.
Example config_files are given in config/
--production You can only compile all the modules with this flag,
but the compilation will be lighting fast
--production You can only compile **all** the modules with this flag,
but it will compile lighting fast.
--development this will create a build.ninja for each directory which
contains a binary. In a second step you may compile them
individually if you like.
--development It will create a build.ninja for each directory
which contains a binary, than you can compile them
individually if you want
Examples:

6
src/Determinants/slater_rules.irp.f
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@ -1023,9 +1023,9 @@ subroutine get_excitation_degree_vector(key1,key2,degree,Nint,sze,idx)
do i=1,sze
d = 0
!DEC$ LOOP COUNT MIN(4)
do l=1,Nint
d = d + popcnt(xor( key1(l,1,i), key2(l,1))) &
+ popcnt(xor( key1(l,2,i), key2(l,2)))
do m=1,Nint
d = d + popcnt(xor( key1(m,1,i), key2(m,1))) &
+ popcnt(xor( key1(m,2,i), key2(m,2)))
enddo
if (d > 4) then
cycle