| /dports/science/nwchem-data/nwchem-7.0.2-release/src/driver/ |
| H A D | lbfgs_utils.F | 3 subroutine lbfgs_compute_info(n,x,x0,g,xmax,xrms,gmax,grms) argument
12 double precision grms,gmax,xrms,xmax local
42 double precision grms,gmax,xrms,xmax,tol(4) local
63 + e,de,xmax,xrms,gmax,grms, argument
75 double precision e,de,grms,gmax,xrms,xmax,tol(4) local
|
| H A D | lbfgs-b_driver.F | 96 double precision grms,gmax local
|
| /dports/devel/gaul/gaul-devel-0.1849-0/src/ |
| H A D | ga_gradient.c | 120 double grms; /* Current RMS gradient. */ in ga_steepestascent() local
292 double grms; /* Current RMS gradient. */ in ga_steepestascent_double() local
|
| /dports/devel/gaul/gaul-devel-0.1849-0/tests/ |
| H A D | test_sd2.c | 71 double grms=0.0; /* RMS gradient. */ in test_analytical_gradient() local
|
| H A D | test_sd.c | 118 double grms=0.0; /* RMS gradient. */ in test_analytical_gradient() local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/driver/ |
| H A D | lbfgs_utils.F | 3 subroutine lbfgs_compute_info(n,x,x0,g,xmax,xrms,gmax,grms) argument
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmmm/ |
| H A D | mm_interface.F | 2667 subroutine mm_get_rms_solvent_force_gen(mm_type,grms) argument
2681 double precision grms local
3267 subroutine mm_get_rms_solute_force_gen(mm_type,grms) argument
3277 double precision grms local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/qmmm/ |
| H A D | mm_interface.F | 2667 subroutine mm_get_rms_solvent_force_gen(mm_type,grms) argument
2681 double precision grms local
3267 subroutine mm_get_rms_solute_force_gen(mm_type,grms) argument
3277 double precision grms local
|
| /dports/science/tinker/tinker/source/ |
| H A D | ocvm.f | 69 real*8 gnorm,grms,rms local
|
| H A D | scan.f | 606 real*8 gnorm,grms,big local
|
| H A D | valence.f | 1896 real*8 gave,grms,gfac local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
| H A D | cgoptimize1.F | 72 real*8 deltae,grms,gmax,xrms,xmax local
|