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File Date Author Commit
 LICENCE.TXT 2018-10-11 Valera Veryazov Valera Veryazov [cbdc6a] add licence file
 Makefile 2020-09-11 Valera Veryazov Valera Veryazov [c04c38] clean code
 README 2020-10-09 Valera Veryazov Valera Veryazov [1bb302] sagit is again fully operational
 WrkSpc.inc 2018-10-11 Valera Veryazov Valera Veryazov [bc9547] first version
 blas.f 2020-10-09 Valera Veryazov Valera Veryazov [78cdc2] start to remove blas
 drvmo.f 2020-10-08 Valera Veryazov Valera Veryazov [4b7ad6] finally nail shifting bug..
 getmem.f 2020-09-11 Valera Veryazov Valera Veryazov [c04c38] clean code
 grid.fh 2018-10-11 Valera Veryazov Valera Veryazov [bc9547] first version
 grid_util.f 2020-10-09 Valera Veryazov Valera Veryazov [1bb302] sagit is again fully operational
 info.fh 2020-10-09 Valera Veryazov Valera Veryazov [1bb302] sagit is again fully operational
 inporbfmt.fh 2018-10-11 Valera Veryazov Valera Veryazov [bc9547] first version
 input_grid_it.f 2020-09-10 Valera Veryazov Valera Veryazov [47b580] gfortan 10.2 syntax fixes
 main.c 2020-09-11 Valera Veryazov Valera Veryazov [c04c38] clean code
 rdvec.f 2019-01-21 Valera Veryazov Valera Veryazov [aa48cd] add Makefile, fix #includes
 sagit.f 2020-09-11 Valera Veryazov Valera Veryazov [c04c38] clean code
 seward_util.f 2020-10-09 Valera Veryazov Valera Veryazov [1bb302] sagit is again fully operational
 shared_util.f 2020-10-09 Valera Veryazov Valera Veryazov [78cdc2] start to remove blas
 util.f 2020-10-09 Valera Veryazov Valera Veryazov [1bb302] sagit is again fully operational
 wrvec_.f 2020-10-09 Valera Veryazov Valera Veryazov [1bb302] sagit is again fully operational

Read Me

IMPOTANT:
due to current restructure of OpenMolcas, sagit is not compatible with it. 

To make a working sagit installation, one should:
1. revert OpenMolcas to 20a78070b9e58a223406546949c0b0a81bd0b130
2. Update wrvec_.f (src/property_util/)
3. compile sagit

To use it: 
export MOLCAS_SAGIT=YES
with such setting molcas/openmolcas will add extra information into orbital file.

use:
./sagit file.ScfOrb 
to generate a .lus file