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cart2int_NH3
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update comment.

This commit is contained in:
David Williams 2024-11-06 13:37:37 +01:00
parent a6728f01b1
commit 27d7e6915c
1 changed files with 1 additions and 4 deletions
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cart2int.f
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@ -9,10 +9,7 @@
! cart(:,1): N ! cart(:,1): N
! cart(:,1+i): Hi ! cart(:,1+i): Hi
! Output ! Output
! qint(1): a mode ! qint(i): order defined in JTmod.
! qint(2:3): e stretching modes
! qint(4:5): e bending modes
! qint(6): umbrella
! Internal Variables ! Internal Variables
! no(1:3): NO distances 1-3 ! no(1:3): NO distances 1-3
! pat_in: temporary coordinates ! pat_in: temporary coordinates