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add michel routine

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This commit is contained in:
Thomas Applencourt 2015-04-03 13:34:27 +02:00
parent 26e41d52a5
commit e5c2d5ee65
8 changed files with 2034 additions and 2 deletions
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scripts/ezfio_interface/convert_ezfio.sh → scripts/ezfio_interface/upgrade_1.0_2.0.sh
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src/NEEDED_MODULES
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AOs Bielec_integrals Bitmask CID CID_SC2_selected CID_selected CIS CISD CISD_selected CISD_SC2_selected Dets Electrons Ezfio_files Full_CI Generators_full Hartree_Fock MOGuess MonoInts MOs MP2 Nuclei Output Selectors_full Utils Molden FCIdump Generators_CAS CAS_SD_selected DDCI_selected MRCC AOs Bielec_integrals Bitmask CID CID_SC2_selected CID_selected CIS CISD CISD_selected CISD_SC2_selected Dets Electrons Ezfio_files Full_CI Generators_full Hartree_Fock MOGuess MonoInts MOs MP2 Nuclei Output Selectors_full Utils Molden FCIdump Generators_CAS CAS_SD_selected DDCI_selected MRCC Pseudo

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src/Pseudo/ASSUMPTIONS.rst Normal file
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src/Pseudo/Makefile Normal file
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# Define here all new external source files and objects.Don't forget to prefix the
# object files with IRPF90_temp/
SRC=int.f90
OBJ=IRPF90_temp/int.o
include $(QPACKAGE_ROOT)/src/Makefile.common

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src/Pseudo/NEEDED_MODULES Normal file
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src/Pseudo/README.rst Normal file
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=======
Module
=======

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src/Pseudo/int.f90 Normal file
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