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NWChem/src/gradients
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Eisuke Kawashima 473fee6dfe
Update DOI resolver
2019-09-17 18:36:16 +09:00
..
ga_reorder.F fixing the previous commit 2016-01-05 02:04:40 +00:00
GNUmakefile finish deprecating SGITFP 2015-02-19 06:23:09 +00:00
grad1.F Update DOI resolver 2019-09-17 18:36:16 +09:00
grad2.F HvD: Added the ROKS analytical gradients capability. 2011-10-08 05:49:59 +00:00
grad_dens.F fixing the previous commit 2016-01-05 02:04:40 +00:00
grad_force.F Implementation of spin-polarised ECPs, including 1st and 2nd derivatives wrt coordinates. I'll put together an example and add it to the QA tests before merging my frozen-density embedding implementation 2015-09-10 08:44:11 +00:00
grad_getdens.F HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
grad_inp.F remove tddft grad bits as this has been consolidated within the tddft gradients code 2014-05-06 18:29:36 +00:00
grad_store.F HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
gradients.F HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
scf_gradient.F HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00