LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
Code Releases Activity

added shank

Browse Source
This commit is contained in:
Emmanuel Giner 2020-04-30 19:35:21 +02:00
parent b0823fe003
commit 61df4e01df
1 changed files with 7 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
src/utils/shank.irp.f
View File

@ -34,6 +34,12 @@ double precision function shank_function(array,i,n)
double precision :: b_n, b_n1
b_n = array(i) - array(i-1)
b_n1 = array(i+1) - array(i)
shank_function = array(i+1) - b_n1*b_n1/(b_n1-b_n)
if(dabs(b_n1-b_n).lt.1.d-12)then
shank_function = array(i+1)
else
shank_function = array(i+1) - b_n1*b_n1/(b_n1-b_n)
endif
end