compilation
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Fix path for .F
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2015-06-06 10:44:04 +02:00 |
ezfio_interface
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Fix cache import
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2015-06-04 18:01:03 +02:00 |
module
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Add doc
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2015-06-05 09:50:24 +02:00 |
pseudo
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Added Davidson in MRCC
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2015-05-21 10:15:13 +02:00 |
upgrade
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Move upgrade script into upgrade folder
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2015-04-30 14:20:08 +02:00 |
utility
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Fix import
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2015-06-04 17:37:43 +02:00 |
get_basis.sh
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Changed pseudo_ao in EZFIO
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2015-05-26 21:37:17 +02:00 |
make_binary.sh
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Fixed static build with gfortran
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2015-03-26 02:16:12 +01:00 |
perturbation.py
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Accelerated Davidson
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2014-05-17 14:20:55 +02:00 |
qp_bitmasks.py
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Added qpackage run command
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2014-06-27 01:26:46 +02:00 |
qp_include.sh
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New Working (maybe?) makefile
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2015-05-15 16:30:43 +02:00 |
qp_set_frozen_core.py
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Better estimated PT2
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2015-03-16 18:30:38 +01:00 |