| .. |
|
Makefile
|
configure updated (only configure.ac had been previously updated).
|
2007-06-20 17:04:47 +00:00 |
|
apply_p.f90
|
- changed all 'nmr_*' and 'magn_*' into 'gipaw_*' for all references to the
|
2007-01-15 11:45:23 +00:00 |
|
apply_vel.f90
|
Trying to stay up-to-date with the recent CVS changes. Gipaw compiles
|
2007-02-23 15:32:08 +00:00 |
|
biot_savart.f90
|
- Changed from 'c' to 'alpha' as the units
|
2007-01-17 14:37:20 +00:00 |
|
cg_psi.f90
|
GIPAW should not depend on PH! I've just borrowed few routines.
|
2007-03-19 09:38:11 +00:00 |
|
cgsolve_all.f90
|
GIPAW should not depend on PH! I've just borrowed few routines.
|
2007-03-19 09:38:11 +00:00 |
|
ch_psi_all.f90
|
GIPAW should not depend on PH! I've just borrowed few routines.
|
2007-03-19 09:38:11 +00:00 |
|
compute_sigma.f90
|
Print total isotropic chemical shift. (D.C.)
|
2007-03-29 09:25:39 +00:00 |
|
compute_u_kq.f90
|
Small change. (D.C.)
|
2007-04-02 08:22:12 +00:00 |
|
efg.f90
|
Small changes. (D.C.)
|
2007-07-13 09:40:39 +00:00 |
|
g_tensor_crystal.f90
|
Small changes. (D.C.)
|
2007-07-13 09:40:39 +00:00 |
|
gipaw_main.f90
|
Hyper-fine interactions implemented; seem to work for CN molecule. No
|
2007-05-10 12:27:45 +00:00 |
|
gipaw_module.f90
|
Small changes. (D.C.)
|
2007-07-13 09:40:39 +00:00 |
|
greenfunction.f90
|
Finally got GIPAW working again! Actually, by working I mean "running"
|
2007-03-19 13:48:57 +00:00 |
|
h_psiq.f90
|
GIPAW should not depend on PH! I've just borrowed few routines.
|
2007-03-19 09:38:11 +00:00 |
|
init_paw_2_no_phase.f90
|
Changed the data types in the PAW reconstruction; now there is one major
|
2007-02-21 16:54:18 +00:00 |
|
init_us_2_no_phase.f90
|
Splines are disabled by default, but now they are
|
2007-01-25 11:42:52 +00:00 |
|
j_para.f90
|
- changed all 'nmr_*' and 'magn_*' into 'gipaw_*' for all references to the
|
2007-01-15 11:45:23 +00:00 |
|
make.depend
|
Misc updates: configure (mac intel + ifort), make.depend, Makefiles
|
2007-04-10 20:39:42 +00:00 |
|
stop_code.f90
|
Initial release (previously developed against tag QE-3-1-1 in directory
|
2007-01-15 11:29:24 +00:00 |
|
suscept_crystal.f90
|
Small changes. (D.C.)
|
2007-05-15 09:18:06 +00:00 |
|
sym_cart_tensor.f90
|
Initial release (previously developed against tag QE-3-1-1 in directory
|
2007-01-15 11:29:24 +00:00 |
|
symmetrize_field.f90
|
- changed all 'nmr_*' and 'magn_*' into 'gipaw_*' for all references to the
|
2007-01-15 11:45:23 +00:00 |
|
test_sum_rule.f90
|
Finally got GIPAW working again! Actually, by working I mean "running"
|
2007-03-19 13:48:57 +00:00 |
|
write_tensor_field.f90
|
- changed all 'nmr_*' and 'magn_*' into 'gipaw_*' for all references to the
|
2007-01-15 11:45:23 +00:00 |
f0b214480d