NWChem/src/geom
2025-10-17 13:24:33 -07:00
..
geom.doc
geom.F fix for https://github.com/nwchemgit/nwchem/issues/1106 2025-04-01 10:24:03 -07:00
geom.fh included geom_cart_get2 into the header 2016-07-22 23:14:27 +00:00
geom_1d.F HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
geom_2d.F ...EJB 2014-04-16 00:04:36 +00:00
geom_3d.F HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
geom_checksum.F HvD: Documented the checksum functions for the basis and geometry modules. 2012-09-07 16:29:35 +00:00
geom_dox.c HvD: Turning the expansion of $Id: $ on. 2013-12-19 17:45:25 +00:00
geom_driver_utils.F reduce call to bandbi 2024-01-16 15:35:10 -08:00
geom_fragment.F HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
geom_fragment.fh HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
geom_freeze.F HvD: Some more documentation. 2012-08-08 22:02:38 +00:00
geom_getsym.F extracted routine to compute the rotation between 2 geometries 2023-08-08 17:56:06 -07:00
geom_hnd.F Use DSYRK instead of DGEMM 2025-10-17 13:24:33 -07:00
geom_input.F removed debug statement 2024-08-12 16:51:19 -07:00
geom_input2.F HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
geom_numcore.F add elements 119 and 120 2023-07-11 10:19:42 +03:00
geom_print_ecce.F HvD: While checking the dispersion corrections in the DFT I noticed that 2014-04-02 06:26:22 +00:00
geomhnd.fh HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
geomP.fh speedup geom_any_finuc 2025-01-16 17:35:26 -08:00
GNUmakefile fix for flang & OpenMP 2025-08-21 18:52:55 -07:00
MakeFile HvD: In the CVS era the $Id: $ tags in the source code files would 2010-10-29 18:04:21 +00:00
periodic.fh add elements 119 and 120 2023-07-11 10:19:42 +03:00