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eplf
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Bug in to_ezfio

This commit is contained in:
Anthony Scemama 2009-12-04 11:17:44 +01:00
parent e662517974
commit 38ade7947e
1 changed files with 3 additions and 3 deletions
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6
bin/to_ezfio.py
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@ -178,8 +178,8 @@ def write_ezfioFile(res,filename):
ezfio.set_determinants_det_occ(dets_a+dets_b)
ezfio.set_compute_eplf(True)
for i in "density density_lapl elf_grad eplf_lapl density_grad elf_grad elf_lapl eplf_grad".split():
exec "ezfio.set_compute_%s(False)" % i
ezfio.set_compute_eplf(True)
for i in "density density_lapl elf_grad eplf_lapl density_grad elf_grad elf_lapl eplf_grad".split():
exec "ezfio.set_compute_%s(False)" % i
write_ezfioFile(file,firstArg+".ezfio")