| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/thermostats/ |
| H A D | nose-hoover.F | 362 subroutine Nose_Newton_Step(eke,eki) argument
364 real*8 eke,eki local
433 subroutine Nose_Verlet_Step(eke,eki) argument
435 real*8 eke,eki local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/thermostats/ |
| H A D | nose-hoover.F | 363 subroutine Nose_Newton_Step(eke,eki) argument
365 real*8 eke,eki local
440 subroutine Nose_Verlet_Step(eke,eki) argument
442 real*8 eke,eki local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/thermostats/ |
| H A D | nose-hoover.F | 363 subroutine Nose_Newton_Step(eke,eki) argument
365 real*8 eke,eki local
440 subroutine Nose_Verlet_Step(eke,eki) argument
442 real*8 eke,eki local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/thermostats/ |
| H A D | nose-hoover.F | 362 subroutine Nose_Newton_Step(eke,eki) argument
364 real*8 eke,eki local
433 subroutine Nose_Verlet_Step(eke,eki) argument
435 real*8 eke,eki local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
| H A D | cpmd_qmmm_step.F | 31 real*8 emotion_time_shift,dt,eave,evar,eke local
36 > emotion_time_shift,dt,eave,evar,eke, local
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| H A D | cpmd_qmmm_stop.F | 52 real*8 emotion_time_shift,dt,eave,evar,eke local
57 > emotion_time_shift,dt,eave,evar,eke, local
|
| H A D | cpmd_qmmm_start.F | 57 real*8 emotion_time_shift,dt,eave,evar,eke local
62 > emotion_time_shift,dt,eave,evar,eke, local
|
| H A D | inner_loop_qmmm_step.F | 47 real*8 sum,Eold,eorbit,eion,ehartr,eke,eki,sse,ssr local
|
| H A D | inner_loop_cprmd.F | 47 real*8 sum,Eold,eorbit,eion,ehartr,eke,eki,sse,ssr,sa1,sa2 local
|
| H A D | inner_loop.F | 62 real*8 sum,Eold,eorbit,eion,ehartr,eke,elocal,enlocal local
|
| H A D | cpmdv5.F | 72 real*8 E(60),eke,eave,evar,cv,have,hvar,qave,qvar,Egas local
|
| H A D | inner_loop_md.F | 68 real*8 sum,Eold,eorbit,eion,ehartr,eke,eki,sse,ssr,sa1,sa2 local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cgsd/ |
| H A D | paw_nominimize.F | 36 double precision evloc_pw,evloc_atom,ehartr_pw,eke local
|
| H A D | paw_cgminimize.F | 56 double precision evloc_pw,evloc_atom,ehartr_pw,eke local
|
| H A D | paw_bfgsminimize.F | 56 double precision evloc_pw,evloc_atom,ehartr_pw,eke local
|
| /dports/science/lammps/lammps-stable_29Sep2021/src/EFF/ |
| H A D | pair_eff_cut.cpp | 73 double eke,ecoul,epauli,errestrain,halfcoul,halfpauli; in compute() local
|
| H A D | pair_eff_inline.h | 248 inline void KinElec(double radius, double *eke, double *frc) in KinElec()
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cpsd/ |
| H A D | paw_inner_loop.F | 165 real*8 sum,Eold,eorbit,ehartr_pw,eke,enlocal local
|
| H A D | paw_inner_loop_md.F | 128 real*8 eke,eki,sse,ssr,sa1,sa2 local
|
| H A D | paw_cpmd.F | 174 real*8 E(30),eke,eave,evar,cv local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
| H A D | inner_loop_ofpw.F | 42 real*8 sum,Eold,eorbit,eion,ehartr,eke,elocal,enlocal local
|
| /dports/mail/cone/cone-1.1/cone/ |
| H A D | gpg.C | 979 std::vector<std::string>::iterator ekb, eke; in create_argv() local
|
| H A D | cursesedit.C | 2648 eke=encryptionInfo.encryptionKeys.end(); in done() local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
| H A D | bybminimize2.F | 64 real*8 ehartree,eorbit,exc,pxc,eion,eke,evl,evnl local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/ |
| H A D | paw_electron.F | 260 real*8 sum,ehartr,exc,exc2,dv,eke,evloc local
|