| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/python/vgrid/ |
| H A D | mergedx.py | 63 pdime = [0,0,0]
97 if pdime[0] == 1: ofrac[0] = 0
98 if pdime[1] == 1: ofrac[1] = 0
99 if pdime[2] == 1: ofrac[2] = 0
105 size = pdime[0] * pdime[1] * pdime[2]
120 kp = int(i/(pdime[0]*pdime[1]))
121 jp = int((i - kp*pdime[0]*pdime[1])/pdime[0])
122 ip = i - kp*pdime[0]*pdime[1] - jp*pdime[0]
166 if ip == (pdime[0] - 1):
172 if jp == (pdime[1] - 1):
[all …]
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/manip/ |
| H A D | inputgen.py | 63 self.pdime = size.getProcGrid()
112 text += " pdime %i %i %i\n" % (self.pdime[0], self.pdime[1], self.pdime[2])
224 nproc = elec.pdime[0] * elec.pdime[1] * elec.pdime[2]
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/src/ |
| H A D | inputgen.py | 100 self.pdime = size.getProcGrid()
148 text += " pdime %i %i %i\n" % (self.pdime[0], self.pdime[1], self.pdime[2])
259 nproc = elec.pdime[0] * elec.pdime[1] * elec.pdime[2]
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/actin-dimer/ |
| H A D | apbs-mol-parallel.in | 19 pdime 2 2 2
46 pdime 2 2 2
73 pdime 2 2 2
|
| H A D | apbs-smol-parallel.in | 19 pdime 2 2 2
46 pdime 2 2 2
73 pdime 2 2 2
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/opal/ |
| H A D | actin-dimer-para.in | 19 pdime 2 2 2
46 pdime 2 2 2
73 pdime 2 2 2
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/CHARMM/ |
| H A D | apbs_fcm.f | 185 integer*4 dime(3), pdime(3)
260 + dime, pdime, napbs, umeth, apbs_debug
|
| H A D | apbs.f | 176 pdime(i) = 0
442 pdime(1) = gtrmi(comlyn, comlen, 'PDIX', pdime(1))
443 pdime(2) = gtrmi(comlyn, comlen, 'PDIY', pdime(2))
444 pdime(3) = gtrmi(comlyn, comlen, 'PDIZ', pdime(3))
631 + grid, dime, pdime, glen, center,
824 + grid, dime, pdime, glen, center,
887 + grid, dime, pdime, glen, center,
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/src/ |
| H A D | apbs_driver.h | 161 int pdime[3],
259 int pdime[3], int debug);
|
| H A D | wrapper.cpp | 48 int dime[3], pdime[3]; in apbs() local
102 pdime[i] = 0; in apbs()
298 pdime, glen, center, cglen, fglen, in apbs()
|
| H A D | wrapper_inc.f | 37 integer :: dime(3), pdime(3)
|
| H A D | wrapper.f | 49 NAMELIST /apbs/ dime, pdime, cglen, fglen, grid, local
71 pdime(i) = 0
311 + pdime, glen, center, cglen, fglen,
|
| H A D | apbs_driver.c | 45 int pdime[3], in apbsdrv_()
190 pdime, debug); in apbsdrv_()
796 int pdime[3], int debug) in setupString()
872 sprintf(mybuf, "pdime %i %i %i\n", pdime[0], pdime[1], pdime[2]); in setupString()
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/examples/born/ |
| H A D | apbs-mol-parallel.in | 18 pdime 2 2 1
45 pdime 2 2 1
|
| H A D | apbs-smol-parallel.in | 18 pdime 2 2 1
45 pdime 2 2 1
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/doc/apbs/input/elec/ |
| H A D | pdime.rst | 3 pdime chapter
11 pdime {npx npy npz}
|
| H A D | mg-para.rst | 33 pdime
|
| H A D | async.rst | 14 …range from *0* to *N-1*, where *N* is the total number of processors in the run (see :ref:`pdime`).
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/test/ |
| H A D | parallel.in | 7 pdime= 2, 1, 1,
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/Amber/ |
| H A D | apbs_vars.f90 | 113 INTEGER :: dime(3), pdime(3)
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/generic/ |
| H A D | mgparm.c | 133 thee->pdime[i] = 1; in MGparm_ctor2()
394 for (i=0; i<3; i++) thee->pdime[i] = parm->pdime[i]; in MGparm_copy()
846 thee->pdime[0] = ti; in MGparm_parsePDIME()
854 thee->pdime[1] = ti; in MGparm_parsePDIME()
862 thee->pdime[2] = ti; in MGparm_parsePDIME()
|
| H A D | mgparm.h | 178 int pdime[3]; /**< Grid of processors to be used in calculation */ member
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/NAMD/ |
| H A D | GlobalMasterAPBS.C | 104 int pdime[3]; variable
233 if (sscanf(s, "%d %d %d", pdime+0, pdime+1, pdime+2) != 3) { in check_config()
732 params->pdime, in call_apbs()
|
| /dports/science/tinker/tinker/apbs/include/linux/apbs/ |
| H A D | mgparm.h | 167 int pdime[3]; /**< Grid of processors to be used in calculation */ member
|
| /dports/science/tinker/tinker/apbs/include/macos/apbs/ |
| H A D | mgparm.h | 167 int pdime[3]; /**< Grid of processors to be used in calculation */ member
|