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threshold davidson = thres * 100

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This commit is contained in:
Anthony Scemama 2016-12-05 09:28:04 +01:00
parent cc66ed86db
commit ca9d34864b
2 changed files with 2 additions and 2 deletions
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2
plugins/CAS_SD_ZMQ/cassd_zmq.irp.f
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@ -11,7 +11,7 @@ program fci_zmq
pt2 = 1.d0
threshold_davidson_in = threshold_davidson
threshold_davidson = 1.d-5
threshold_davidson = threshold_davidson_in * 100.d0
SOFT_TOUCH threshold_davidson

2
plugins/Full_CI_ZMQ/fci_zmq.irp.f
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@ -12,7 +12,7 @@ program fci_zmq
pt2 = 1.d0
threshold_davidson_in = threshold_davidson
threshold_davidson = 1.d-5
threshold_davidson = threshold_davidson_in * 100.d0
SOFT_TOUCH threshold_davidson
if (N_det > N_det_max) then