Now I get a new error: dhcp-baca-43:sympy aaronmeurer((c681aa4...)$%)$./examples/intermediate/coupled_cluster.py
Calculates the Coupled-Cluster energy- and amplitude equations See 'An Introduction to Coupled Cluster Theory' by T. Daniel Crawford and Henry F. Schaefer III http://www.ccc.uga.edu/lec_top/cc/html/review.html Using the hamiltonian: $f^{p}_{q} \left\{a^\dagger_{p} a_{q}\right\}$ Calculating nested commutators comm1... comm2... comm3... Traceback (most recent call last): File "./examples/intermediate/coupled_cluster.py", line 114, in <module> main() File "./examples/intermediate/coupled_cluster.py", line 78, in main comm3 = wicks(C(comm2,T),simplify_dummies=True, simplify_kronecker_deltas=True) File "/Library/Frameworks/Python.framework/Versions/2.6/lib/python2.6/site-packages/sympy/physics/secondquant.py", line 2844, in wicks raise WicksTheoremDoesNotApply sympy.physics.secondquant.WicksTheoremDoesNotApply Aaron Meurer On Feb 27, 2010, at 12:48 PM, jegerjensen wrote: > I uploaded again to github. Does it work? I also ran into a stupid > one-liner bug in wicks() that I fixed along the way. > > > Øyvind > On 27 Feb, 19:53, "Aaron S. Meurer" <asmeu...@gmail.com> wrote: >> We use all.py to test the examples, so you just need to add it to the list >> in the file. >> >> Of course, it won't work outside of the sympy directory, because then it >> can't find the secondquant file (unless you have installed it systemwide). >> But it doesn't work anywhere for me (note that I was running it from the >> sympy directory). >> >> If I change the file to executable and add a shebang line, it works (though >> it's quite slow). >> >> Aaron Meurer >> On Feb 27, 2010, at 11:35 AM, Øyvind Jensen wrote: >> >>> I can run it without problem from the sympy root directory (which I >>> always do). But I get the same error as you did when running from >>> another directory: >> >>> [...@ubuntulaptop sympy (fix_wicks2)]$ /usr/bin/python \ >>> examples/intermediate/coupled_cluster.py >> >>> Calculates the Coupled-Cluster energy- and amplitude equations >>> See 'An Introduction to Coupled Cluster Theory' by >>> T. Daniel Crawford and Henry F. Schaefer III >> >>> Setting up hamiltonian >>> Calculating nested commutators >>> comm1... >>> comm2... >> >>> (snip) >> >>> [...@ubuntulaptop sympy (fix_wicks2)]$ cd .. >>> [...@ubuntulaptop git_workingdirs]$ /usr/bin/python \ >>> sympy/examples/intermediate/coupled_cluster.py >>> Traceback (most recent call last): >>> File "sympy/examples/intermediate/coupled_cluster.py", line 1, in >>> <module> >>> from sympy.physics.secondquant import (AntiSymmetricTensor, wicks, >>> ImportError: cannot import name AntiSymmetricTensor >>> [...@ubuntulaptop git_workingdirs]$ >> >>> I guess it should be in all.py, but what does that mean? >> >>> Øyvind >> >>> lø., 27.02.2010 kl. 11.19 -0700, skrev Aaron S. Meurer: >>>> The coupled_cluster.py example doesn't run, and it isn't run by all.py, I >>>> think because it is not set to executable. >> >>>> $/sw/bin/python2.6 examples/intermediate/coupled_cluster.py >>>> Traceback (most recent call last): >>>> File "examples/intermediate/coupled_cluster.py", line 1, in <module> >>>> from sympy.physics.secondquant import (AntiSymmetricTensor, wicks, >>>> ImportError: cannot import name AntiSymmetricTensor >> >>>> Aaron Meurer >>>> On Feb 27, 2010, at 8:38 AM, jegerjensen wrote: >> >>>>> Thanks for reviewing, both of you. >> >>>>> I rebased of the sympy.org repo and uploaded the patches to the branch >>>>> fix_wick2 at git://github.com/jegerjensen/sympy.git >> >>>>> Oh, and that branch also contains a corresponding patch for examples/ >>>>> intermediate/coupled_cluster.py. I'm sorry that I forgot to send in >>>>> that last commit here... >> >>>>> Øyvind >> >>>>> -- >>>>> You received this message because you are subscribed to the Google Groups >>>>> "sympy-patches" group. >>>>> To post to this group, send email to sympy-patc...@googlegroups.com. >>>>> To unsubscribe from this group, send email to >>>>> sympy-patches+unsubscr...@googlegroups.com. >>>>> For more options, visit this group >>>>> athttp://groups.google.com/group/sympy-patches?hl=en. >> >>> -- >>> You received this message because you are subscribed to the Google Groups >>> "sympy-patches" group. >>> To post to this group, send email to sympy-patc...@googlegroups.com. >>> To unsubscribe from this group, send email to >>> sympy-patches+unsubscr...@googlegroups.com. >>> For more options, visit this group >>> athttp://groups.google.com/group/sympy-patches?hl=en. >> >> > > -- > You received this message because you are subscribed to the Google Groups > "sympy-patches" group. > To post to this group, send email to sympy-patc...@googlegroups.com. > To unsubscribe from this group, send email to > sympy-patches+unsubscr...@googlegroups.com. > For more options, visit this group at > http://groups.google.com/group/sympy-patches?hl=en. > -- You received this message because you are subscribed to the Google Groups "sympy-patches" group. To post to this group, send email to sympy-patc...@googlegroups.com. To unsubscribe from this group, send email to sympy-patches+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/sympy-patches?hl=en.
