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Searched refs:control_Nose_Tr (Results 1 – 25 of 26) sorted by relevance

12

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/
H A Dcpmd_qmmm_start.F146 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 local
147 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
351 Tr_init = control_Nose_Tr()
531 write(6,1298) i,control_Nose_Tr(),Nose_Qr(i),
H A Dcprmdv1.F161 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
162 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
412 Tr_init = control_Nose_Tr()
621 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
H A Dcpmd_qmmm_stop.F139 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 local
140 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
H A Dcpmdv5.F168 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 local
169 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
456 Tr_init = control_Nose_Tr()
707 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/
H A Dcpmd_qmmm_start.F146 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
147 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
351 Tr_init = control_Nose_Tr()
531 write(6,1298) i,control_Nose_Tr(),Nose_Qr(i),
H A Dcprmdv1.F161 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
162 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
412 Tr_init = control_Nose_Tr()
621 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
H A Dcpmdv5.F165 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
166 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
440 Tr_init = control_Nose_Tr()
689 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
H A Dcpmd_qmmm_stop.F139 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
140 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/
H A Dmmmdv1.F148 real*8 control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr
153 external control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr
261 Tr_init = control_Nose_Tr()
383 write(luout,1398) i,control_Nose_Tr(),Nose_Qr(i),
H A Dcgmdv5.F170 real*8 control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr local
175 external control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr
379 Tr_init = control_Nose_Tr()
600 write(luout,1398) i,control_Nose_Tr(),Nose_Qr(i),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/
H A Dmmmdv1.F148 real*8 control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr
153 external control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr
256 Tr_init = control_Nose_Tr()
378 write(luout,1398) i,control_Nose_Tr(),Nose_Qr(i),
H A Dcgmdv5.F170 real*8 control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr
175 external control_Nose_Te,control_Nose_Tr,control_SA_decay,Nose_ssr
375 Tr_init = control_Nose_Tr()
626 write(luout,1398) i,control_Nose_Tr(),Nose_Qr(i),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/thermostats/
H A Dnose-hoover.F40 real*8 control_Nose_Tr
48 external control_Nose_Tr
57 Tr = control_Nose_Tr()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/thermostats/
H A Dnose-hoover.F40 real*8 control_Nose_Tr
48 external control_Nose_Tr
57 Tr = control_Nose_Tr()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/thermostats/
H A Dnose-hoover.F40 real*8 control_Nose_Tr
48 external control_Nose_Tr
57 Tr = control_Nose_Tr()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/thermostats/
H A Dnose-hoover.F40 real*8 control_Nose_Tr
48 external control_Nose_Tr
57 Tr = control_Nose_Tr()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/MetaDynamics/
H A Dmetadynamics.F33 real*8 lattice_unita,ion_Temperature,control_Nose_Tr
37 external lattice_unita,ion_Temperature,control_Nose_Tr
263 temp = control_Nose_Tr()
612 real*8 control_Nose_Tr,ion_Temperature
613 external control_Nose_Tr,ion_Temperature
635 temp = control_Nose_Tr()
1865 real*8 nwpw_interp,control_Nose_Tr,ion_Temperature
1866 external nwpw_interp,control_Nose_Tr,ion_Temperature
1876 temp = control_Nose_Tr()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/MetaDynamics/
H A Dmetadynamics.F33 real*8 lattice_unita,ion_Temperature,control_Nose_Tr
37 external lattice_unita,ion_Temperature,control_Nose_Tr
263 temp = control_Nose_Tr()
612 real*8 control_Nose_Tr,ion_Temperature
613 external control_Nose_Tr,ion_Temperature
635 temp = control_Nose_Tr()
1865 real*8 nwpw_interp,control_Nose_Tr,ion_Temperature
1866 external nwpw_interp,control_Nose_Tr,ion_Temperature
1876 temp = control_Nose_Tr()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cpsd/
H A Dpaw_cpmd.F277 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0 local
278 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
577 Tr_init = control_Nose_Tr()
734 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/cpsd/
H A Dpaw_cpmd.F277 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
278 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
577 Tr_init = control_Nose_Tr()
734 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/cpsd/
H A Dband_cpmd.F173 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
174 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
442 Tr_init = control_Nose_Tr()
677 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/cpsd/
H A Dband_cpmd.F173 real*8 control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
174 external control_Nose_Tr,Nose_Qr,Nose_Pr,Nose_Er0
441 Tr_init = control_Nose_Tr()
676 write(luout,1298) i,control_Nose_Tr(),Nose_Qr(i),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/TAMD/
H A Dtamd.F33 real*8 lattice_unita,ion_Temperature,control_Nose_Tr
38 external lattice_unita,ion_Temperature,control_Nose_Tr
263 temp = control_Nose_Tr()
694 real*8 control_Nose_Tr,ion_Temperature
695 external control_Nose_Tr,ion_Temperature
717 temp = control_Nose_Tr()
1915 real*8 nwpw_interp,control_Nose_Tr,ion_Temperature
1916 external nwpw_interp,control_Nose_Tr,ion_Temperature
1926 temp = control_Nose_Tr()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/TAMD/
H A Dtamd.F33 real*8 lattice_unita,ion_Temperature,control_Nose_Tr
38 external lattice_unita,ion_Temperature,control_Nose_Tr
263 temp = control_Nose_Tr()
694 real*8 control_Nose_Tr,ion_Temperature
695 external control_Nose_Tr,ion_Temperature
717 temp = control_Nose_Tr()
1915 real*8 nwpw_interp,control_Nose_Tr,ion_Temperature
1916 external nwpw_interp,control_Nose_Tr,ion_Temperature
1926 temp = control_Nose_Tr()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/control/
H A Dcontrol.F3456 real*8 function control_Nose_Tr()
3465 control_Nose_Tr = Tr

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